Ignore:
Timestamp:
Sep 26, 2012, 5:24:47 PM (13 years ago)
Author:
Frederik Heber <heber@…>
Branches:
Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Added_ParseSaveFragmentResults, AddingActions_SaveParseParticleParameters, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_ParticleName_to_Atom, Adding_StructOpt_integration_tests, AtomFragments, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, Candidate_v1.7.0, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, CombiningParticlePotentialParsing, Combining_Subpackages, Debian_Package_split, Debian_package_split_molecuildergui_only, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph, EmpiricalPotential_contain_HomologyGraph_documentation, Enable_parallel_make_install, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_BoundInBox_CenterInBox_MoleculeActions, Fix_ChargeSampling_PBC, Fix_ChronosMutex, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ForceAnnealing, Fix_IndependentFragmentGrids, Fix_ParseParticles, Fix_ParseParticles_split_forward_backward_Actions, Fix_PopActions, Fix_QtFragmentList_sorted_selection, Fix_Restrictedkeyset_FragmentMolecule, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, Fix_fitting_potentials, Fixes, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, FragmentAction_writes_AtomFragments, FragmentMolecule_checks_bonddegrees, GeometryObjects, Gui_Fixes, Gui_displays_atomic_force_velocity, ImplicitCharges, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, MoreRobust_FragmentAutomation, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PdbParser_setsAtomName, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, Rewrite_FitPartialCharges, RotateToPrincipalAxisSystem_UndoRedo, SaturateAtoms_findBestMatching, SaturateAtoms_singleDegree, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, Switchable_LogView, ThirdParty_MPQC_rebuilt_buildsystem, TrajectoryDependenant_MaxOrder, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, TremoloParser_setsAtomName, Ubuntu_1604_changes, stable
Children:
a8fc70
Parents:
94d5ac6
git-author:
Frederik Heber <heber@…> (09/11/12 08:48:06)
git-committer:
Frederik Heber <heber@…> (09/26/12 17:24:47)
Message:

FIX: Added license disclaimer to every testfile .at of the testsuite as well.

  • so far, there was no disclaimer on the copyright of the code.
Location:
tests/regression/Parser
Files:
47 edited

Legend:

Unmodified
Added
Removed

  • tests/regression/Parser/Mpqc/testsuite-parser-mpqc-empty.at

    r94d5ac6 r6253ed  
     1#
     2#    MoleCuilder - creates and alters molecular systems
     3#    Copyright (C) 2008-2012 University of Bonn
     4#
     5#    This program is free software: you can redistribute it and/or modify
     6#    it under the terms of the GNU General Public License as published by
     7#    the Free Software Foundation, either version 3 of the License, or
     8#    (at your option) any later version.
     9#
     10#    This program is distributed in the hope that it will be useful,
     11#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     12#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     13#    GNU General Public License for more details.
     14#
     15#    You should have received a copy of the GNU General Public License
     16#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     17#
     18#
     19#    MoleCuilder - creates and alters molecular systems
     20#    Copyright (C) 2008-2012 University of Bonn
     21#
     22#    This program is free software: you can redistribute it and/or modify
     23#    it under the terms of the GNU General Public License as published by
     24#    the Free Software Foundation, either version 3 of the License, or
     25#    (at your option) any later version.
     26#
     27#    This program is distributed in the hope that it will be useful,
     28#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     29#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     30#    GNU General Public License for more details.
     31#
     32#    You should have received a copy of the GNU General Public License
     33#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     34#
    135### parsing mpqc
    236

  • tests/regression/Parser/Mpqc/testsuite-parser-mpqc-load-multiply.at

    r94d5ac6 r6253ed  
     1#
     2#    MoleCuilder - creates and alters molecular systems
     3#    Copyright (C) 2008-2012 University of Bonn
     4#
     5#    This program is free software: you can redistribute it and/or modify
     6#    it under the terms of the GNU General Public License as published by
     7#    the Free Software Foundation, either version 3 of the License, or
     8#    (at your option) any later version.
     9#
     10#    This program is distributed in the hope that it will be useful,
     11#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     12#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     13#    GNU General Public License for more details.
     14#
     15#    You should have received a copy of the GNU General Public License
     16#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     17#
     18#
     19#    MoleCuilder - creates and alters molecular systems
     20#    Copyright (C) 2008-2012 University of Bonn
     21#
     22#    This program is free software: you can redistribute it and/or modify
     23#    it under the terms of the GNU General Public License as published by
     24#    the Free Software Foundation, either version 3 of the License, or
     25#    (at your option) any later version.
     26#
     27#    This program is distributed in the hope that it will be useful,
     28#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     29#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     30#    GNU General Public License for more details.
     31#
     32#    You should have received a copy of the GNU General Public License
     33#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     34#
    135### parsing mpqc
    236

  • tests/regression/Parser/Mpqc/testsuite-parser-mpqc-load.at

    r94d5ac6 r6253ed  
     1#
     2#    MoleCuilder - creates and alters molecular systems
     3#    Copyright (C) 2008-2012 University of Bonn
     4#
     5#    This program is free software: you can redistribute it and/or modify
     6#    it under the terms of the GNU General Public License as published by
     7#    the Free Software Foundation, either version 3 of the License, or
     8#    (at your option) any later version.
     9#
     10#    This program is distributed in the hope that it will be useful,
     11#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     12#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     13#    GNU General Public License for more details.
     14#
     15#    You should have received a copy of the GNU General Public License
     16#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     17#
     18#
     19#    MoleCuilder - creates and alters molecular systems
     20#    Copyright (C) 2008-2012 University of Bonn
     21#
     22#    This program is free software: you can redistribute it and/or modify
     23#    it under the terms of the GNU General Public License as published by
     24#    the Free Software Foundation, either version 3 of the License, or
     25#    (at your option) any later version.
     26#
     27#    This program is distributed in the hope that it will be useful,
     28#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     29#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     30#    GNU General Public License for more details.
     31#
     32#    You should have received a copy of the GNU General Public License
     33#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     34#
    135### parsing mpqc
    236

  • tests/regression/Parser/Mpqc/testsuite-parser-mpqc-save.at

    r94d5ac6 r6253ed  
     1#
     2#    MoleCuilder - creates and alters molecular systems
     3#    Copyright (C) 2008-2012 University of Bonn
     4#
     5#    This program is free software: you can redistribute it and/or modify
     6#    it under the terms of the GNU General Public License as published by
     7#    the Free Software Foundation, either version 3 of the License, or
     8#    (at your option) any later version.
     9#
     10#    This program is distributed in the hope that it will be useful,
     11#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     12#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     13#    GNU General Public License for more details.
     14#
     15#    You should have received a copy of the GNU General Public License
     16#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     17#
     18#
     19#    MoleCuilder - creates and alters molecular systems
     20#    Copyright (C) 2008-2012 University of Bonn
     21#
     22#    This program is free software: you can redistribute it and/or modify
     23#    it under the terms of the GNU General Public License as published by
     24#    the Free Software Foundation, either version 3 of the License, or
     25#    (at your option) any later version.
     26#
     27#    This program is distributed in the hope that it will be useful,
     28#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     29#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     30#    GNU General Public License for more details.
     31#
     32#    You should have received a copy of the GNU General Public License
     33#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     34#
    135### parsing mpqc
    236

  • tests/regression/Parser/Pcp/testsuite-parser-pcp-empty.at

    r94d5ac6 r6253ed  
     1#
     2#    MoleCuilder - creates and alters molecular systems
     3#    Copyright (C) 2008-2012 University of Bonn
     4#
     5#    This program is free software: you can redistribute it and/or modify
     6#    it under the terms of the GNU General Public License as published by
     7#    the Free Software Foundation, either version 3 of the License, or
     8#    (at your option) any later version.
     9#
     10#    This program is distributed in the hope that it will be useful,
     11#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     12#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     13#    GNU General Public License for more details.
     14#
     15#    You should have received a copy of the GNU General Public License
     16#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     17#
     18#
     19#    MoleCuilder - creates and alters molecular systems
     20#    Copyright (C) 2008-2012 University of Bonn
     21#
     22#    This program is free software: you can redistribute it and/or modify
     23#    it under the terms of the GNU General Public License as published by
     24#    the Free Software Foundation, either version 3 of the License, or
     25#    (at your option) any later version.
     26#
     27#    This program is distributed in the hope that it will be useful,
     28#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     29#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     30#    GNU General Public License for more details.
     31#
     32#    You should have received a copy of the GNU General Public License
     33#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     34#
    135### parsing pcp
    236

  • tests/regression/Parser/Pcp/testsuite-parser-pcp-load-multiply.at

    r94d5ac6 r6253ed  
     1#
     2#    MoleCuilder - creates and alters molecular systems
     3#    Copyright (C) 2008-2012 University of Bonn
     4#
     5#    This program is free software: you can redistribute it and/or modify
     6#    it under the terms of the GNU General Public License as published by
     7#    the Free Software Foundation, either version 3 of the License, or
     8#    (at your option) any later version.
     9#
     10#    This program is distributed in the hope that it will be useful,
     11#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     12#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     13#    GNU General Public License for more details.
     14#
     15#    You should have received a copy of the GNU General Public License
     16#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     17#
     18#
     19#    MoleCuilder - creates and alters molecular systems
     20#    Copyright (C) 2008-2012 University of Bonn
     21#
     22#    This program is free software: you can redistribute it and/or modify
     23#    it under the terms of the GNU General Public License as published by
     24#    the Free Software Foundation, either version 3 of the License, or
     25#    (at your option) any later version.
     26#
     27#    This program is distributed in the hope that it will be useful,
     28#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     29#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     30#    GNU General Public License for more details.
     31#
     32#    You should have received a copy of the GNU General Public License
     33#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     34#
    135### parsing pcp
    236

  • tests/regression/Parser/Pcp/testsuite-parser-pcp-load.at

    r94d5ac6 r6253ed  
     1#
     2#    MoleCuilder - creates and alters molecular systems
     3#    Copyright (C) 2008-2012 University of Bonn
     4#
     5#    This program is free software: you can redistribute it and/or modify
     6#    it under the terms of the GNU General Public License as published by
     7#    the Free Software Foundation, either version 3 of the License, or
     8#    (at your option) any later version.
     9#
     10#    This program is distributed in the hope that it will be useful,
     11#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     12#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     13#    GNU General Public License for more details.
     14#
     15#    You should have received a copy of the GNU General Public License
     16#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     17#
     18#
     19#    MoleCuilder - creates and alters molecular systems
     20#    Copyright (C) 2008-2012 University of Bonn
     21#
     22#    This program is free software: you can redistribute it and/or modify
     23#    it under the terms of the GNU General Public License as published by
     24#    the Free Software Foundation, either version 3 of the License, or
     25#    (at your option) any later version.
     26#
     27#    This program is distributed in the hope that it will be useful,
     28#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     29#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     30#    GNU General Public License for more details.
     31#
     32#    You should have received a copy of the GNU General Public License
     33#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     34#
    135### parsing pcp
    236

  • tests/regression/Parser/Pcp/testsuite-parser-pcp-multiple-timesteps.at

    r94d5ac6 r6253ed  
     1#
     2#    MoleCuilder - creates and alters molecular systems
     3#    Copyright (C) 2008-2012 University of Bonn
     4#
     5#    This program is free software: you can redistribute it and/or modify
     6#    it under the terms of the GNU General Public License as published by
     7#    the Free Software Foundation, either version 3 of the License, or
     8#    (at your option) any later version.
     9#
     10#    This program is distributed in the hope that it will be useful,
     11#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     12#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     13#    GNU General Public License for more details.
     14#
     15#    You should have received a copy of the GNU General Public License
     16#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     17#
     18#
     19#    MoleCuilder - creates and alters molecular systems
     20#    Copyright (C) 2008-2012 University of Bonn
     21#
     22#    This program is free software: you can redistribute it and/or modify
     23#    it under the terms of the GNU General Public License as published by
     24#    the Free Software Foundation, either version 3 of the License, or
     25#    (at your option) any later version.
     26#
     27#    This program is distributed in the hope that it will be useful,
     28#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     29#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     30#    GNU General Public License for more details.
     31#
     32#    You should have received a copy of the GNU General Public License
     33#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     34#
    135### parsing pcp
    236

  • tests/regression/Parser/Pcp/testsuite-parser-pcp-save.at

    r94d5ac6 r6253ed  
     1#
     2#    MoleCuilder - creates and alters molecular systems
     3#    Copyright (C) 2008-2012 University of Bonn
     4#
     5#    This program is free software: you can redistribute it and/or modify
     6#    it under the terms of the GNU General Public License as published by
     7#    the Free Software Foundation, either version 3 of the License, or
     8#    (at your option) any later version.
     9#
     10#    This program is distributed in the hope that it will be useful,
     11#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     12#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     13#    GNU General Public License for more details.
     14#
     15#    You should have received a copy of the GNU General Public License
     16#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     17#
     18#
     19#    MoleCuilder - creates and alters molecular systems
     20#    Copyright (C) 2008-2012 University of Bonn
     21#
     22#    This program is free software: you can redistribute it and/or modify
     23#    it under the terms of the GNU General Public License as published by
     24#    the Free Software Foundation, either version 3 of the License, or
     25#    (at your option) any later version.
     26#
     27#    This program is distributed in the hope that it will be useful,
     28#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     29#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     30#    GNU General Public License for more details.
     31#
     32#    You should have received a copy of the GNU General Public License
     33#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     34#
    135### parsing pcp
    236

  • tests/regression/Parser/Pdb/testsuite-parser-pdb-CONECTs_empty_space.at

    r94d5ac6 r6253ed  
     1#
     2#    MoleCuilder - creates and alters molecular systems
     3#    Copyright (C) 2008-2012 University of Bonn
     4#
     5#    This program is free software: you can redistribute it and/or modify
     6#    it under the terms of the GNU General Public License as published by
     7#    the Free Software Foundation, either version 3 of the License, or
     8#    (at your option) any later version.
     9#
     10#    This program is distributed in the hope that it will be useful,
     11#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     12#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     13#    GNU General Public License for more details.
     14#
     15#    You should have received a copy of the GNU General Public License
     16#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     17#
     18#
     19#    MoleCuilder - creates and alters molecular systems
     20#    Copyright (C) 2008-2012 University of Bonn
     21#
     22#    This program is free software: you can redistribute it and/or modify
     23#    it under the terms of the GNU General Public License as published by
     24#    the Free Software Foundation, either version 3 of the License, or
     25#    (at your option) any later version.
     26#
     27#    This program is distributed in the hope that it will be useful,
     28#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     29#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     30#    GNU General Public License for more details.
     31#
     32#    You should have received a copy of the GNU General Public License
     33#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     34#
    135### parsing pdb
    236

  • tests/regression/Parser/Pdb/testsuite-parser-pdb-capital_letters_element.at

    r94d5ac6 r6253ed  
     1#
     2#    MoleCuilder - creates and alters molecular systems
     3#    Copyright (C) 2008-2012 University of Bonn
     4#
     5#    This program is free software: you can redistribute it and/or modify
     6#    it under the terms of the GNU General Public License as published by
     7#    the Free Software Foundation, either version 3 of the License, or
     8#    (at your option) any later version.
     9#
     10#    This program is distributed in the hope that it will be useful,
     11#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     12#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     13#    GNU General Public License for more details.
     14#
     15#    You should have received a copy of the GNU General Public License
     16#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     17#
     18#
     19#    MoleCuilder - creates and alters molecular systems
     20#    Copyright (C) 2008-2012 University of Bonn
     21#
     22#    This program is free software: you can redistribute it and/or modify
     23#    it under the terms of the GNU General Public License as published by
     24#    the Free Software Foundation, either version 3 of the License, or
     25#    (at your option) any later version.
     26#
     27#    This program is distributed in the hope that it will be useful,
     28#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     29#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     30#    GNU General Public License for more details.
     31#
     32#    You should have received a copy of the GNU General Public License
     33#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     34#
    135### parsing pdb
    236

  • tests/regression/Parser/Pdb/testsuite-parser-pdb-empty.at

    r94d5ac6 r6253ed  
     1#
     2#    MoleCuilder - creates and alters molecular systems
     3#    Copyright (C) 2008-2012 University of Bonn
     4#
     5#    This program is free software: you can redistribute it and/or modify
     6#    it under the terms of the GNU General Public License as published by
     7#    the Free Software Foundation, either version 3 of the License, or
     8#    (at your option) any later version.
     9#
     10#    This program is distributed in the hope that it will be useful,
     11#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     12#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     13#    GNU General Public License for more details.
     14#
     15#    You should have received a copy of the GNU General Public License
     16#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     17#
     18#
     19#    MoleCuilder - creates and alters molecular systems
     20#    Copyright (C) 2008-2012 University of Bonn
     21#
     22#    This program is free software: you can redistribute it and/or modify
     23#    it under the terms of the GNU General Public License as published by
     24#    the Free Software Foundation, either version 3 of the License, or
     25#    (at your option) any later version.
     26#
     27#    This program is distributed in the hope that it will be useful,
     28#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     29#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     30#    GNU General Public License for more details.
     31#
     32#    You should have received a copy of the GNU General Public License
     33#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     34#
    135### parsing pdb
    236

  • tests/regression/Parser/Pdb/testsuite-parser-pdb-load-multiply.at

    r94d5ac6 r6253ed  
     1#
     2#    MoleCuilder - creates and alters molecular systems
     3#    Copyright (C) 2008-2012 University of Bonn
     4#
     5#    This program is free software: you can redistribute it and/or modify
     6#    it under the terms of the GNU General Public License as published by
     7#    the Free Software Foundation, either version 3 of the License, or
     8#    (at your option) any later version.
     9#
     10#    This program is distributed in the hope that it will be useful,
     11#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     12#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     13#    GNU General Public License for more details.
     14#
     15#    You should have received a copy of the GNU General Public License
     16#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     17#
     18#
     19#    MoleCuilder - creates and alters molecular systems
     20#    Copyright (C) 2008-2012 University of Bonn
     21#
     22#    This program is free software: you can redistribute it and/or modify
     23#    it under the terms of the GNU General Public License as published by
     24#    the Free Software Foundation, either version 3 of the License, or
     25#    (at your option) any later version.
     26#
     27#    This program is distributed in the hope that it will be useful,
     28#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     29#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     30#    GNU General Public License for more details.
     31#
     32#    You should have received a copy of the GNU General Public License
     33#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     34#
    135### parsing pdb
    236

  • tests/regression/Parser/Pdb/testsuite-parser-pdb-load-various.at

    r94d5ac6 r6253ed  
     1#
     2#    MoleCuilder - creates and alters molecular systems
     3#    Copyright (C) 2008-2012 University of Bonn
     4#
     5#    This program is free software: you can redistribute it and/or modify
     6#    it under the terms of the GNU General Public License as published by
     7#    the Free Software Foundation, either version 3 of the License, or
     8#    (at your option) any later version.
     9#
     10#    This program is distributed in the hope that it will be useful,
     11#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     12#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     13#    GNU General Public License for more details.
     14#
     15#    You should have received a copy of the GNU General Public License
     16#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     17#
     18#
     19#    MoleCuilder - creates and alters molecular systems
     20#    Copyright (C) 2008-2012 University of Bonn
     21#
     22#    This program is free software: you can redistribute it and/or modify
     23#    it under the terms of the GNU General Public License as published by
     24#    the Free Software Foundation, either version 3 of the License, or
     25#    (at your option) any later version.
     26#
     27#    This program is distributed in the hope that it will be useful,
     28#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     29#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     30#    GNU General Public License for more details.
     31#
     32#    You should have received a copy of the GNU General Public License
     33#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     34#
    135### parsing pdb
    236

  • tests/regression/Parser/Pdb/testsuite-parser-pdb-load.at

    r94d5ac6 r6253ed  
     1#
     2#    MoleCuilder - creates and alters molecular systems
     3#    Copyright (C) 2008-2012 University of Bonn
     4#
     5#    This program is free software: you can redistribute it and/or modify
     6#    it under the terms of the GNU General Public License as published by
     7#    the Free Software Foundation, either version 3 of the License, or
     8#    (at your option) any later version.
     9#
     10#    This program is distributed in the hope that it will be useful,
     11#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     12#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     13#    GNU General Public License for more details.
     14#
     15#    You should have received a copy of the GNU General Public License
     16#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     17#
     18#
     19#    MoleCuilder - creates and alters molecular systems
     20#    Copyright (C) 2008-2012 University of Bonn
     21#
     22#    This program is free software: you can redistribute it and/or modify
     23#    it under the terms of the GNU General Public License as published by
     24#    the Free Software Foundation, either version 3 of the License, or
     25#    (at your option) any later version.
     26#
     27#    This program is distributed in the hope that it will be useful,
     28#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     29#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     30#    GNU General Public License for more details.
     31#
     32#    You should have received a copy of the GNU General Public License
     33#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     34#
    135### parsing pdb
    236

  • tests/regression/Parser/Pdb/testsuite-parser-pdb-multiple-timesteps.at

    r94d5ac6 r6253ed  
     1#
     2#    MoleCuilder - creates and alters molecular systems
     3#    Copyright (C) 2008-2012 University of Bonn
     4#
     5#    This program is free software: you can redistribute it and/or modify
     6#    it under the terms of the GNU General Public License as published by
     7#    the Free Software Foundation, either version 3 of the License, or
     8#    (at your option) any later version.
     9#
     10#    This program is distributed in the hope that it will be useful,
     11#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     12#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     13#    GNU General Public License for more details.
     14#
     15#    You should have received a copy of the GNU General Public License
     16#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     17#
     18#
     19#    MoleCuilder - creates and alters molecular systems
     20#    Copyright (C) 2008-2012 University of Bonn
     21#
     22#    This program is free software: you can redistribute it and/or modify
     23#    it under the terms of the GNU General Public License as published by
     24#    the Free Software Foundation, either version 3 of the License, or
     25#    (at your option) any later version.
     26#
     27#    This program is distributed in the hope that it will be useful,
     28#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     29#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     30#    GNU General Public License for more details.
     31#
     32#    You should have received a copy of the GNU General Public License
     33#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     34#
    135### parsing pdb
    236

  • tests/regression/Parser/Pdb/testsuite-parser-pdb-save.at

    r94d5ac6 r6253ed  
     1#
     2#    MoleCuilder - creates and alters molecular systems
     3#    Copyright (C) 2008-2012 University of Bonn
     4#
     5#    This program is free software: you can redistribute it and/or modify
     6#    it under the terms of the GNU General Public License as published by
     7#    the Free Software Foundation, either version 3 of the License, or
     8#    (at your option) any later version.
     9#
     10#    This program is distributed in the hope that it will be useful,
     11#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     12#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     13#    GNU General Public License for more details.
     14#
     15#    You should have received a copy of the GNU General Public License
     16#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     17#
     18#
     19#    MoleCuilder - creates and alters molecular systems
     20#    Copyright (C) 2008-2012 University of Bonn
     21#
     22#    This program is free software: you can redistribute it and/or modify
     23#    it under the terms of the GNU General Public License as published by
     24#    the Free Software Foundation, either version 3 of the License, or
     25#    (at your option) any later version.
     26#
     27#    This program is distributed in the hope that it will be useful,
     28#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     29#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     30#    GNU General Public License for more details.
     31#
     32#    You should have received a copy of the GNU General Public License
     33#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     34#
    135### parsing pdb
    236

  • tests/regression/Parser/Pdb/testsuite-parser-pdb-with-conects.at

    r94d5ac6 r6253ed  
     1#
     2#    MoleCuilder - creates and alters molecular systems
     3#    Copyright (C) 2008-2012 University of Bonn
     4#
     5#    This program is free software: you can redistribute it and/or modify
     6#    it under the terms of the GNU General Public License as published by
     7#    the Free Software Foundation, either version 3 of the License, or
     8#    (at your option) any later version.
     9#
     10#    This program is distributed in the hope that it will be useful,
     11#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     12#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     13#    GNU General Public License for more details.
     14#
     15#    You should have received a copy of the GNU General Public License
     16#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     17#
     18#
     19#    MoleCuilder - creates and alters molecular systems
     20#    Copyright (C) 2008-2012 University of Bonn
     21#
     22#    This program is free software: you can redistribute it and/or modify
     23#    it under the terms of the GNU General Public License as published by
     24#    the Free Software Foundation, either version 3 of the License, or
     25#    (at your option) any later version.
     26#
     27#    This program is distributed in the hope that it will be useful,
     28#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     29#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     30#    GNU General Public License for more details.
     31#
     32#    You should have received a copy of the GNU General Public License
     33#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     34#
    135### parsing pdb
    236

  • tests/regression/Parser/Psi3/testsuite-parser-psi3-empty.at

    r94d5ac6 r6253ed  
     1#
     2#    MoleCuilder - creates and alters molecular systems
     3#    Copyright (C) 2008-2012 University of Bonn
     4#
     5#    This program is free software: you can redistribute it and/or modify
     6#    it under the terms of the GNU General Public License as published by
     7#    the Free Software Foundation, either version 3 of the License, or
     8#    (at your option) any later version.
     9#
     10#    This program is distributed in the hope that it will be useful,
     11#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     12#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     13#    GNU General Public License for more details.
     14#
     15#    You should have received a copy of the GNU General Public License
     16#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     17#
     18#
     19#    MoleCuilder - creates and alters molecular systems
     20#    Copyright (C) 2008-2012 University of Bonn
     21#
     22#    This program is free software: you can redistribute it and/or modify
     23#    it under the terms of the GNU General Public License as published by
     24#    the Free Software Foundation, either version 3 of the License, or
     25#    (at your option) any later version.
     26#
     27#    This program is distributed in the hope that it will be useful,
     28#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     29#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     30#    GNU General Public License for more details.
     31#
     32#    You should have received a copy of the GNU General Public License
     33#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     34#
    135### parsing psi3
    236

  • tests/regression/Parser/Psi3/testsuite-parser-psi3-load-multiply.at

    r94d5ac6 r6253ed  
     1#
     2#    MoleCuilder - creates and alters molecular systems
     3#    Copyright (C) 2008-2012 University of Bonn
     4#
     5#    This program is free software: you can redistribute it and/or modify
     6#    it under the terms of the GNU General Public License as published by
     7#    the Free Software Foundation, either version 3 of the License, or
     8#    (at your option) any later version.
     9#
     10#    This program is distributed in the hope that it will be useful,
     11#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     12#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     13#    GNU General Public License for more details.
     14#
     15#    You should have received a copy of the GNU General Public License
     16#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     17#
     18#
     19#    MoleCuilder - creates and alters molecular systems
     20#    Copyright (C) 2008-2012 University of Bonn
     21#
     22#    This program is free software: you can redistribute it and/or modify
     23#    it under the terms of the GNU General Public License as published by
     24#    the Free Software Foundation, either version 3 of the License, or
     25#    (at your option) any later version.
     26#
     27#    This program is distributed in the hope that it will be useful,
     28#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     29#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     30#    GNU General Public License for more details.
     31#
     32#    You should have received a copy of the GNU General Public License
     33#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     34#
    135### parsing psi3
    236

  • tests/regression/Parser/Psi3/testsuite-parser-psi3-load.at

    r94d5ac6 r6253ed  
     1#
     2#    MoleCuilder - creates and alters molecular systems
     3#    Copyright (C) 2008-2012 University of Bonn
     4#
     5#    This program is free software: you can redistribute it and/or modify
     6#    it under the terms of the GNU General Public License as published by
     7#    the Free Software Foundation, either version 3 of the License, or
     8#    (at your option) any later version.
     9#
     10#    This program is distributed in the hope that it will be useful,
     11#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     12#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     13#    GNU General Public License for more details.
     14#
     15#    You should have received a copy of the GNU General Public License
     16#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     17#
     18#
     19#    MoleCuilder - creates and alters molecular systems
     20#    Copyright (C) 2008-2012 University of Bonn
     21#
     22#    This program is free software: you can redistribute it and/or modify
     23#    it under the terms of the GNU General Public License as published by
     24#    the Free Software Foundation, either version 3 of the License, or
     25#    (at your option) any later version.
     26#
     27#    This program is distributed in the hope that it will be useful,
     28#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     29#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     30#    GNU General Public License for more details.
     31#
     32#    You should have received a copy of the GNU General Public License
     33#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     34#
    135### parsing psi3
    236

  • tests/regression/Parser/Psi3/testsuite-parser-psi3-save.at

    r94d5ac6 r6253ed  
     1#
     2#    MoleCuilder - creates and alters molecular systems
     3#    Copyright (C) 2008-2012 University of Bonn
     4#
     5#    This program is free software: you can redistribute it and/or modify
     6#    it under the terms of the GNU General Public License as published by
     7#    the Free Software Foundation, either version 3 of the License, or
     8#    (at your option) any later version.
     9#
     10#    This program is distributed in the hope that it will be useful,
     11#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     12#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     13#    GNU General Public License for more details.
     14#
     15#    You should have received a copy of the GNU General Public License
     16#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     17#
     18#
     19#    MoleCuilder - creates and alters molecular systems
     20#    Copyright (C) 2008-2012 University of Bonn
     21#
     22#    This program is free software: you can redistribute it and/or modify
     23#    it under the terms of the GNU General Public License as published by
     24#    the Free Software Foundation, either version 3 of the License, or
     25#    (at your option) any later version.
     26#
     27#    This program is distributed in the hope that it will be useful,
     28#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     29#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     30#    GNU General Public License for more details.
     31#
     32#    You should have received a copy of the GNU General Public License
     33#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     34#
    135### parsing psi3
    236

  • tests/regression/Parser/SetParameters/Mpqc/testsuite-parser-set-parameters-mpqc-basis.at

    r94d5ac6 r6253ed  
     1#
     2#    MoleCuilder - creates and alters molecular systems
     3#    Copyright (C) 2008-2012 University of Bonn
     4#
     5#    This program is free software: you can redistribute it and/or modify
     6#    it under the terms of the GNU General Public License as published by
     7#    the Free Software Foundation, either version 3 of the License, or
     8#    (at your option) any later version.
     9#
     10#    This program is distributed in the hope that it will be useful,
     11#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     12#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     13#    GNU General Public License for more details.
     14#
     15#    You should have received a copy of the GNU General Public License
     16#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     17#
     18#
     19#    MoleCuilder - creates and alters molecular systems
     20#    Copyright (C) 2008-2012 University of Bonn
     21#
     22#    This program is free software: you can redistribute it and/or modify
     23#    it under the terms of the GNU General Public License as published by
     24#    the Free Software Foundation, either version 3 of the License, or
     25#    (at your option) any later version.
     26#
     27#    This program is distributed in the hope that it will be useful,
     28#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     29#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     30#    GNU General Public License for more details.
     31#
     32#    You should have received a copy of the GNU General Public License
     33#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     34#
    135### MPQC basis
    236

  • tests/regression/Parser/SetParameters/Mpqc/testsuite-parser-set-parameters-mpqc-maxiterations.at

    r94d5ac6 r6253ed  
     1#
     2#    MoleCuilder - creates and alters molecular systems
     3#    Copyright (C) 2008-2012 University of Bonn
     4#
     5#    This program is free software: you can redistribute it and/or modify
     6#    it under the terms of the GNU General Public License as published by
     7#    the Free Software Foundation, either version 3 of the License, or
     8#    (at your option) any later version.
     9#
     10#    This program is distributed in the hope that it will be useful,
     11#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     12#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     13#    GNU General Public License for more details.
     14#
     15#    You should have received a copy of the GNU General Public License
     16#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     17#
     18#
     19#    MoleCuilder - creates and alters molecular systems
     20#    Copyright (C) 2008-2012 University of Bonn
     21#
     22#    This program is free software: you can redistribute it and/or modify
     23#    it under the terms of the GNU General Public License as published by
     24#    the Free Software Foundation, either version 3 of the License, or
     25#    (at your option) any later version.
     26#
     27#    This program is distributed in the hope that it will be useful,
     28#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     29#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     30#    GNU General Public License for more details.
     31#
     32#    You should have received a copy of the GNU General Public License
     33#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     34#
    135### MPQC basis
    236

  • tests/regression/Parser/SetParameters/Mpqc/testsuite-parser-set-parameters-mpqc-none.at

    r94d5ac6 r6253ed  
     1#
     2#    MoleCuilder - creates and alters molecular systems
     3#    Copyright (C) 2008-2012 University of Bonn
     4#
     5#    This program is free software: you can redistribute it and/or modify
     6#    it under the terms of the GNU General Public License as published by
     7#    the Free Software Foundation, either version 3 of the License, or
     8#    (at your option) any later version.
     9#
     10#    This program is distributed in the hope that it will be useful,
     11#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     12#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     13#    GNU General Public License for more details.
     14#
     15#    You should have received a copy of the GNU General Public License
     16#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     17#
     18#
     19#    MoleCuilder - creates and alters molecular systems
     20#    Copyright (C) 2008-2012 University of Bonn
     21#
     22#    This program is free software: you can redistribute it and/or modify
     23#    it under the terms of the GNU General Public License as published by
     24#    the Free Software Foundation, either version 3 of the License, or
     25#    (at your option) any later version.
     26#
     27#    This program is distributed in the hope that it will be useful,
     28#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     29#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     30#    GNU General Public License for more details.
     31#
     32#    You should have received a copy of the GNU General Public License
     33#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     34#
    135### MPQC basis
    236

  • tests/regression/Parser/SetParameters/Mpqc/testsuite-parser-set-parameters-mpqc-theory.at

    r94d5ac6 r6253ed  
     1#
     2#    MoleCuilder - creates and alters molecular systems
     3#    Copyright (C) 2008-2012 University of Bonn
     4#
     5#    This program is free software: you can redistribute it and/or modify
     6#    it under the terms of the GNU General Public License as published by
     7#    the Free Software Foundation, either version 3 of the License, or
     8#    (at your option) any later version.
     9#
     10#    This program is distributed in the hope that it will be useful,
     11#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     12#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     13#    GNU General Public License for more details.
     14#
     15#    You should have received a copy of the GNU General Public License
     16#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     17#
     18#
     19#    MoleCuilder - creates and alters molecular systems
     20#    Copyright (C) 2008-2012 University of Bonn
     21#
     22#    This program is free software: you can redistribute it and/or modify
     23#    it under the terms of the GNU General Public License as published by
     24#    the Free Software Foundation, either version 3 of the License, or
     25#    (at your option) any later version.
     26#
     27#    This program is distributed in the hope that it will be useful,
     28#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     29#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     30#    GNU General Public License for more details.
     31#
     32#    You should have received a copy of the GNU General Public License
     33#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     34#
    135### MPQC basis
    236

  • tests/regression/Parser/SetParameters/Mpqc/testsuite-parser-set-parameters-mpqc.at

    r94d5ac6 r6253ed  
     1#
     2#    MoleCuilder - creates and alters molecular systems
     3#    Copyright (C) 2008-2012 University of Bonn
     4#
     5#    This program is free software: you can redistribute it and/or modify
     6#    it under the terms of the GNU General Public License as published by
     7#    the Free Software Foundation, either version 3 of the License, or
     8#    (at your option) any later version.
     9#
     10#    This program is distributed in the hope that it will be useful,
     11#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     12#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     13#    GNU General Public License for more details.
     14#
     15#    You should have received a copy of the GNU General Public License
     16#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     17#
     18#
     19#    MoleCuilder - creates and alters molecular systems
     20#    Copyright (C) 2008-2012 University of Bonn
     21#
     22#    This program is free software: you can redistribute it and/or modify
     23#    it under the terms of the GNU General Public License as published by
     24#    the Free Software Foundation, either version 3 of the License, or
     25#    (at your option) any later version.
     26#
     27#    This program is distributed in the hope that it will be useful,
     28#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     29#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     30#    GNU General Public License for more details.
     31#
     32#    You should have received a copy of the GNU General Public License
     33#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     34#
    135### MPQC basis
    236

  • tests/regression/Parser/SetParameters/Psi3/testsuite-parser-set-parameters-psi3-reference.at

    r94d5ac6 r6253ed  
     1#
     2#    MoleCuilder - creates and alters molecular systems
     3#    Copyright (C) 2008-2012 University of Bonn
     4#
     5#    This program is free software: you can redistribute it and/or modify
     6#    it under the terms of the GNU General Public License as published by
     7#    the Free Software Foundation, either version 3 of the License, or
     8#    (at your option) any later version.
     9#
     10#    This program is distributed in the hope that it will be useful,
     11#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     12#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     13#    GNU General Public License for more details.
     14#
     15#    You should have received a copy of the GNU General Public License
     16#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     17#
     18#
     19#    MoleCuilder - creates and alters molecular systems
     20#    Copyright (C) 2008-2012 University of Bonn
     21#
     22#    This program is free software: you can redistribute it and/or modify
     23#    it under the terms of the GNU General Public License as published by
     24#    the Free Software Foundation, either version 3 of the License, or
     25#    (at your option) any later version.
     26#
     27#    This program is distributed in the hope that it will be useful,
     28#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     29#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     30#    GNU General Public License for more details.
     31#
     32#    You should have received a copy of the GNU General Public License
     33#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     34#
    135### PSI3 basis
    236

  • tests/regression/Parser/SetParameters/Psi3/testsuite-parser-set-parameters-psi3-wavefunction.at

    r94d5ac6 r6253ed  
     1#
     2#    MoleCuilder - creates and alters molecular systems
     3#    Copyright (C) 2008-2012 University of Bonn
     4#
     5#    This program is free software: you can redistribute it and/or modify
     6#    it under the terms of the GNU General Public License as published by
     7#    the Free Software Foundation, either version 3 of the License, or
     8#    (at your option) any later version.
     9#
     10#    This program is distributed in the hope that it will be useful,
     11#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     12#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     13#    GNU General Public License for more details.
     14#
     15#    You should have received a copy of the GNU General Public License
     16#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     17#
     18#
     19#    MoleCuilder - creates and alters molecular systems
     20#    Copyright (C) 2008-2012 University of Bonn
     21#
     22#    This program is free software: you can redistribute it and/or modify
     23#    it under the terms of the GNU General Public License as published by
     24#    the Free Software Foundation, either version 3 of the License, or
     25#    (at your option) any later version.
     26#
     27#    This program is distributed in the hope that it will be useful,
     28#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     29#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     30#    GNU General Public License for more details.
     31#
     32#    You should have received a copy of the GNU General Public License
     33#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     34#
    135### PSI3 basis
    236

  • tests/regression/Parser/Tremolo-Exttypes/testsuite-parser-tremolo-save-selected-atoms-as-exttypes.at

    r94d5ac6 r6253ed  
     1#
     2#    MoleCuilder - creates and alters molecular systems
     3#    Copyright (C) 2008-2012 University of Bonn
     4#
     5#    This program is free software: you can redistribute it and/or modify
     6#    it under the terms of the GNU General Public License as published by
     7#    the Free Software Foundation, either version 3 of the License, or
     8#    (at your option) any later version.
     9#
     10#    This program is distributed in the hope that it will be useful,
     11#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     12#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     13#    GNU General Public License for more details.
     14#
     15#    You should have received a copy of the GNU General Public License
     16#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     17#
     18#
     19#    MoleCuilder - creates and alters molecular systems
     20#    Copyright (C) 2008-2012 University of Bonn
     21#
     22#    This program is free software: you can redistribute it and/or modify
     23#    it under the terms of the GNU General Public License as published by
     24#    the Free Software Foundation, either version 3 of the License, or
     25#    (at your option) any later version.
     26#
     27#    This program is distributed in the hope that it will be useful,
     28#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     29#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     30#    GNU General Public License for more details.
     31#
     32#    You should have received a copy of the GNU General Public License
     33#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     34#
    135### parsing tremolo
    236

  • tests/regression/Parser/Tremolo-Potentials/testsuite-parser-tremolo-potentials-load.at

    r94d5ac6 r6253ed  
     1#
     2#    MoleCuilder - creates and alters molecular systems
     3#    Copyright (C) 2008-2012 University of Bonn
     4#
     5#    This program is free software: you can redistribute it and/or modify
     6#    it under the terms of the GNU General Public License as published by
     7#    the Free Software Foundation, either version 3 of the License, or
     8#    (at your option) any later version.
     9#
     10#    This program is distributed in the hope that it will be useful,
     11#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     12#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     13#    GNU General Public License for more details.
     14#
     15#    You should have received a copy of the GNU General Public License
     16#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     17#
     18#
     19#    MoleCuilder - creates and alters molecular systems
     20#    Copyright (C) 2008-2012 University of Bonn
     21#
     22#    This program is free software: you can redistribute it and/or modify
     23#    it under the terms of the GNU General Public License as published by
     24#    the Free Software Foundation, either version 3 of the License, or
     25#    (at your option) any later version.
     26#
     27#    This program is distributed in the hope that it will be useful,
     28#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     29#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     30#    GNU General Public License for more details.
     31#
     32#    You should have received a copy of the GNU General Public License
     33#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     34#
    135### parsing tremolo
    236

  • tests/regression/Parser/Tremolo-Potentials/testsuite-parser-tremolo-potentials-save.at

    r94d5ac6 r6253ed  
     1#
     2#    MoleCuilder - creates and alters molecular systems
     3#    Copyright (C) 2008-2012 University of Bonn
     4#
     5#    This program is free software: you can redistribute it and/or modify
     6#    it under the terms of the GNU General Public License as published by
     7#    the Free Software Foundation, either version 3 of the License, or
     8#    (at your option) any later version.
     9#
     10#    This program is distributed in the hope that it will be useful,
     11#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     12#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     13#    GNU General Public License for more details.
     14#
     15#    You should have received a copy of the GNU General Public License
     16#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     17#
     18#
     19#    MoleCuilder - creates and alters molecular systems
     20#    Copyright (C) 2008-2012 University of Bonn
     21#
     22#    This program is free software: you can redistribute it and/or modify
     23#    it under the terms of the GNU General Public License as published by
     24#    the Free Software Foundation, either version 3 of the License, or
     25#    (at your option) any later version.
     26#
     27#    This program is distributed in the hope that it will be useful,
     28#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     29#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     30#    GNU General Public License for more details.
     31#
     32#    You should have received a copy of the GNU General Public License
     33#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     34#
    135### parsing tremolo
    236

  • tests/regression/Parser/Tremolo-Potentials/testsuite-parser-tremolo-potentials.at

    r94d5ac6 r6253ed  
     1#
     2#    MoleCuilder - creates and alters molecular systems
     3#    Copyright (C) 2008-2012 University of Bonn
     4#
     5#    This program is free software: you can redistribute it and/or modify
     6#    it under the terms of the GNU General Public License as published by
     7#    the Free Software Foundation, either version 3 of the License, or
     8#    (at your option) any later version.
     9#
     10#    This program is distributed in the hope that it will be useful,
     11#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     12#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     13#    GNU General Public License for more details.
     14#
     15#    You should have received a copy of the GNU General Public License
     16#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     17#
     18#
     19#    MoleCuilder - creates and alters molecular systems
     20#    Copyright (C) 2008-2012 University of Bonn
     21#
     22#    This program is free software: you can redistribute it and/or modify
     23#    it under the terms of the GNU General Public License as published by
     24#    the Free Software Foundation, either version 3 of the License, or
     25#    (at your option) any later version.
     26#
     27#    This program is distributed in the hope that it will be useful,
     28#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     29#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     30#    GNU General Public License for more details.
     31#
     32#    You should have received a copy of the GNU General Public License
     33#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     34#
    135### parsing tremolo
    236

  • tests/regression/Parser/Tremolo-SetAtomdata/testsuite-parser-tremolo-resetatomdata.at

    r94d5ac6 r6253ed  
     1#
     2#    MoleCuilder - creates and alters molecular systems
     3#    Copyright (C) 2008-2012 University of Bonn
     4#
     5#    This program is free software: you can redistribute it and/or modify
     6#    it under the terms of the GNU General Public License as published by
     7#    the Free Software Foundation, either version 3 of the License, or
     8#    (at your option) any later version.
     9#
     10#    This program is distributed in the hope that it will be useful,
     11#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     12#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     13#    GNU General Public License for more details.
     14#
     15#    You should have received a copy of the GNU General Public License
     16#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     17#
     18#
     19#    MoleCuilder - creates and alters molecular systems
     20#    Copyright (C) 2008-2012 University of Bonn
     21#
     22#    This program is free software: you can redistribute it and/or modify
     23#    it under the terms of the GNU General Public License as published by
     24#    the Free Software Foundation, either version 3 of the License, or
     25#    (at your option) any later version.
     26#
     27#    This program is distributed in the hope that it will be useful,
     28#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     29#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     30#    GNU General Public License for more details.
     31#
     32#    You should have received a copy of the GNU General Public License
     33#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     34#
    135### parsing tremolo
    236

  • tests/regression/Parser/Tremolo-SetAtomdata/testsuite-parser-tremolo-setatomdata.at

    r94d5ac6 r6253ed  
     1#
     2#    MoleCuilder - creates and alters molecular systems
     3#    Copyright (C) 2008-2012 University of Bonn
     4#
     5#    This program is free software: you can redistribute it and/or modify
     6#    it under the terms of the GNU General Public License as published by
     7#    the Free Software Foundation, either version 3 of the License, or
     8#    (at your option) any later version.
     9#
     10#    This program is distributed in the hope that it will be useful,
     11#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     12#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     13#    GNU General Public License for more details.
     14#
     15#    You should have received a copy of the GNU General Public License
     16#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     17#
     18#
     19#    MoleCuilder - creates and alters molecular systems
     20#    Copyright (C) 2008-2012 University of Bonn
     21#
     22#    This program is free software: you can redistribute it and/or modify
     23#    it under the terms of the GNU General Public License as published by
     24#    the Free Software Foundation, either version 3 of the License, or
     25#    (at your option) any later version.
     26#
     27#    This program is distributed in the hope that it will be useful,
     28#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     29#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     30#    GNU General Public License for more details.
     31#
     32#    You should have received a copy of the GNU General Public License
     33#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     34#
    135### parsing tremolo
    236

  • tests/regression/Parser/Tremolo/testsuite-parser-tremolo-empty.at

    r94d5ac6 r6253ed  
     1#
     2#    MoleCuilder - creates and alters molecular systems
     3#    Copyright (C) 2008-2012 University of Bonn
     4#
     5#    This program is free software: you can redistribute it and/or modify
     6#    it under the terms of the GNU General Public License as published by
     7#    the Free Software Foundation, either version 3 of the License, or
     8#    (at your option) any later version.
     9#
     10#    This program is distributed in the hope that it will be useful,
     11#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     12#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     13#    GNU General Public License for more details.
     14#
     15#    You should have received a copy of the GNU General Public License
     16#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     17#
     18#
     19#    MoleCuilder - creates and alters molecular systems
     20#    Copyright (C) 2008-2012 University of Bonn
     21#
     22#    This program is free software: you can redistribute it and/or modify
     23#    it under the terms of the GNU General Public License as published by
     24#    the Free Software Foundation, either version 3 of the License, or
     25#    (at your option) any later version.
     26#
     27#    This program is distributed in the hope that it will be useful,
     28#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     29#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     30#    GNU General Public License for more details.
     31#
     32#    You should have received a copy of the GNU General Public License
     33#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     34#
    135### parsing tremolo
    236

  • tests/regression/Parser/Tremolo/testsuite-parser-tremolo-load-multiply.at

    r94d5ac6 r6253ed  
     1#
     2#    MoleCuilder - creates and alters molecular systems
     3#    Copyright (C) 2008-2012 University of Bonn
     4#
     5#    This program is free software: you can redistribute it and/or modify
     6#    it under the terms of the GNU General Public License as published by
     7#    the Free Software Foundation, either version 3 of the License, or
     8#    (at your option) any later version.
     9#
     10#    This program is distributed in the hope that it will be useful,
     11#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     12#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     13#    GNU General Public License for more details.
     14#
     15#    You should have received a copy of the GNU General Public License
     16#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     17#
     18#
     19#    MoleCuilder - creates and alters molecular systems
     20#    Copyright (C) 2008-2012 University of Bonn
     21#
     22#    This program is free software: you can redistribute it and/or modify
     23#    it under the terms of the GNU General Public License as published by
     24#    the Free Software Foundation, either version 3 of the License, or
     25#    (at your option) any later version.
     26#
     27#    This program is distributed in the hope that it will be useful,
     28#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     29#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     30#    GNU General Public License for more details.
     31#
     32#    You should have received a copy of the GNU General Public License
     33#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     34#
    135### parsing tremolo
    236

  • tests/regression/Parser/Tremolo/testsuite-parser-tremolo-load.at

    r94d5ac6 r6253ed  
     1#
     2#    MoleCuilder - creates and alters molecular systems
     3#    Copyright (C) 2008-2012 University of Bonn
     4#
     5#    This program is free software: you can redistribute it and/or modify
     6#    it under the terms of the GNU General Public License as published by
     7#    the Free Software Foundation, either version 3 of the License, or
     8#    (at your option) any later version.
     9#
     10#    This program is distributed in the hope that it will be useful,
     11#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     12#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     13#    GNU General Public License for more details.
     14#
     15#    You should have received a copy of the GNU General Public License
     16#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     17#
     18#
     19#    MoleCuilder - creates and alters molecular systems
     20#    Copyright (C) 2008-2012 University of Bonn
     21#
     22#    This program is free software: you can redistribute it and/or modify
     23#    it under the terms of the GNU General Public License as published by
     24#    the Free Software Foundation, either version 3 of the License, or
     25#    (at your option) any later version.
     26#
     27#    This program is distributed in the hope that it will be useful,
     28#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     29#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     30#    GNU General Public License for more details.
     31#
     32#    You should have received a copy of the GNU General Public License
     33#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     34#
    135### parsing tremolo
    236

  • tests/regression/Parser/Tremolo/testsuite-parser-tremolo-save-unique_usedfields.at

    r94d5ac6 r6253ed  
     1#
     2#    MoleCuilder - creates and alters molecular systems
     3#    Copyright (C) 2008-2012 University of Bonn
     4#
     5#    This program is free software: you can redistribute it and/or modify
     6#    it under the terms of the GNU General Public License as published by
     7#    the Free Software Foundation, either version 3 of the License, or
     8#    (at your option) any later version.
     9#
     10#    This program is distributed in the hope that it will be useful,
     11#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     12#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     13#    GNU General Public License for more details.
     14#
     15#    You should have received a copy of the GNU General Public License
     16#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     17#
     18#
     19#    MoleCuilder - creates and alters molecular systems
     20#    Copyright (C) 2008-2012 University of Bonn
     21#
     22#    This program is free software: you can redistribute it and/or modify
     23#    it under the terms of the GNU General Public License as published by
     24#    the Free Software Foundation, either version 3 of the License, or
     25#    (at your option) any later version.
     26#
     27#    This program is distributed in the hope that it will be useful,
     28#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     29#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     30#    GNU General Public License for more details.
     31#
     32#    You should have received a copy of the GNU General Public License
     33#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     34#
    135### parsing tremolo
    236

  • tests/regression/Parser/Tremolo/testsuite-parser-tremolo-save.at

    r94d5ac6 r6253ed  
     1#
     2#    MoleCuilder - creates and alters molecular systems
     3#    Copyright (C) 2008-2012 University of Bonn
     4#
     5#    This program is free software: you can redistribute it and/or modify
     6#    it under the terms of the GNU General Public License as published by
     7#    the Free Software Foundation, either version 3 of the License, or
     8#    (at your option) any later version.
     9#
     10#    This program is distributed in the hope that it will be useful,
     11#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     12#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     13#    GNU General Public License for more details.
     14#
     15#    You should have received a copy of the GNU General Public License
     16#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     17#
     18#
     19#    MoleCuilder - creates and alters molecular systems
     20#    Copyright (C) 2008-2012 University of Bonn
     21#
     22#    This program is free software: you can redistribute it and/or modify
     23#    it under the terms of the GNU General Public License as published by
     24#    the Free Software Foundation, either version 3 of the License, or
     25#    (at your option) any later version.
     26#
     27#    This program is distributed in the hope that it will be useful,
     28#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     29#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     30#    GNU General Public License for more details.
     31#
     32#    You should have received a copy of the GNU General Public License
     33#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     34#
    135### parsing tremolo
    236

  • tests/regression/Parser/Xyz/testsuite-parser-xyz-empty.at

    r94d5ac6 r6253ed  
     1#
     2#    MoleCuilder - creates and alters molecular systems
     3#    Copyright (C) 2008-2012 University of Bonn
     4#
     5#    This program is free software: you can redistribute it and/or modify
     6#    it under the terms of the GNU General Public License as published by
     7#    the Free Software Foundation, either version 3 of the License, or
     8#    (at your option) any later version.
     9#
     10#    This program is distributed in the hope that it will be useful,
     11#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     12#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     13#    GNU General Public License for more details.
     14#
     15#    You should have received a copy of the GNU General Public License
     16#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     17#
     18#
     19#    MoleCuilder - creates and alters molecular systems
     20#    Copyright (C) 2008-2012 University of Bonn
     21#
     22#    This program is free software: you can redistribute it and/or modify
     23#    it under the terms of the GNU General Public License as published by
     24#    the Free Software Foundation, either version 3 of the License, or
     25#    (at your option) any later version.
     26#
     27#    This program is distributed in the hope that it will be useful,
     28#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     29#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     30#    GNU General Public License for more details.
     31#
     32#    You should have received a copy of the GNU General Public License
     33#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     34#
    135### parsing xyz
    236

  • tests/regression/Parser/Xyz/testsuite-parser-xyz-load-multiply.at

    r94d5ac6 r6253ed  
     1#
     2#    MoleCuilder - creates and alters molecular systems
     3#    Copyright (C) 2008-2012 University of Bonn
     4#
     5#    This program is free software: you can redistribute it and/or modify
     6#    it under the terms of the GNU General Public License as published by
     7#    the Free Software Foundation, either version 3 of the License, or
     8#    (at your option) any later version.
     9#
     10#    This program is distributed in the hope that it will be useful,
     11#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     12#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     13#    GNU General Public License for more details.
     14#
     15#    You should have received a copy of the GNU General Public License
     16#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     17#
     18#
     19#    MoleCuilder - creates and alters molecular systems
     20#    Copyright (C) 2008-2012 University of Bonn
     21#
     22#    This program is free software: you can redistribute it and/or modify
     23#    it under the terms of the GNU General Public License as published by
     24#    the Free Software Foundation, either version 3 of the License, or
     25#    (at your option) any later version.
     26#
     27#    This program is distributed in the hope that it will be useful,
     28#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     29#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     30#    GNU General Public License for more details.
     31#
     32#    You should have received a copy of the GNU General Public License
     33#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     34#
    135### parsing xyz
    236

  • tests/regression/Parser/Xyz/testsuite-parser-xyz-load-various.at

    r94d5ac6 r6253ed  
     1#
     2#    MoleCuilder - creates and alters molecular systems
     3#    Copyright (C) 2008-2012 University of Bonn
     4#
     5#    This program is free software: you can redistribute it and/or modify
     6#    it under the terms of the GNU General Public License as published by
     7#    the Free Software Foundation, either version 3 of the License, or
     8#    (at your option) any later version.
     9#
     10#    This program is distributed in the hope that it will be useful,
     11#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     12#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     13#    GNU General Public License for more details.
     14#
     15#    You should have received a copy of the GNU General Public License
     16#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     17#
     18#
     19#    MoleCuilder - creates and alters molecular systems
     20#    Copyright (C) 2008-2012 University of Bonn
     21#
     22#    This program is free software: you can redistribute it and/or modify
     23#    it under the terms of the GNU General Public License as published by
     24#    the Free Software Foundation, either version 3 of the License, or
     25#    (at your option) any later version.
     26#
     27#    This program is distributed in the hope that it will be useful,
     28#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     29#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     30#    GNU General Public License for more details.
     31#
     32#    You should have received a copy of the GNU General Public License
     33#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     34#
    135### parsing xyz
    236

  • tests/regression/Parser/Xyz/testsuite-parser-xyz-load.at

    r94d5ac6 r6253ed  
     1#
     2#    MoleCuilder - creates and alters molecular systems
     3#    Copyright (C) 2008-2012 University of Bonn
     4#
     5#    This program is free software: you can redistribute it and/or modify
     6#    it under the terms of the GNU General Public License as published by
     7#    the Free Software Foundation, either version 3 of the License, or
     8#    (at your option) any later version.
     9#
     10#    This program is distributed in the hope that it will be useful,
     11#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     12#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     13#    GNU General Public License for more details.
     14#
     15#    You should have received a copy of the GNU General Public License
     16#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     17#
     18#
     19#    MoleCuilder - creates and alters molecular systems
     20#    Copyright (C) 2008-2012 University of Bonn
     21#
     22#    This program is free software: you can redistribute it and/or modify
     23#    it under the terms of the GNU General Public License as published by
     24#    the Free Software Foundation, either version 3 of the License, or
     25#    (at your option) any later version.
     26#
     27#    This program is distributed in the hope that it will be useful,
     28#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     29#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     30#    GNU General Public License for more details.
     31#
     32#    You should have received a copy of the GNU General Public License
     33#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     34#
    135### parsing xyz
    236

  • tests/regression/Parser/Xyz/testsuite-parser-xyz-multiple-timesteps.at

    r94d5ac6 r6253ed  
     1#
     2#    MoleCuilder - creates and alters molecular systems
     3#    Copyright (C) 2008-2012 University of Bonn
     4#
     5#    This program is free software: you can redistribute it and/or modify
     6#    it under the terms of the GNU General Public License as published by
     7#    the Free Software Foundation, either version 3 of the License, or
     8#    (at your option) any later version.
     9#
     10#    This program is distributed in the hope that it will be useful,
     11#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     12#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     13#    GNU General Public License for more details.
     14#
     15#    You should have received a copy of the GNU General Public License
     16#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     17#
     18#
     19#    MoleCuilder - creates and alters molecular systems
     20#    Copyright (C) 2008-2012 University of Bonn
     21#
     22#    This program is free software: you can redistribute it and/or modify
     23#    it under the terms of the GNU General Public License as published by
     24#    the Free Software Foundation, either version 3 of the License, or
     25#    (at your option) any later version.
     26#
     27#    This program is distributed in the hope that it will be useful,
     28#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     29#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     30#    GNU General Public License for more details.
     31#
     32#    You should have received a copy of the GNU General Public License
     33#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     34#
    135### parsing xyz
    236

  • tests/regression/Parser/Xyz/testsuite-parser-xyz-save.at

    r94d5ac6 r6253ed  
     1#
     2#    MoleCuilder - creates and alters molecular systems
     3#    Copyright (C) 2008-2012 University of Bonn
     4#
     5#    This program is free software: you can redistribute it and/or modify
     6#    it under the terms of the GNU General Public License as published by
     7#    the Free Software Foundation, either version 3 of the License, or
     8#    (at your option) any later version.
     9#
     10#    This program is distributed in the hope that it will be useful,
     11#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     12#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     13#    GNU General Public License for more details.
     14#
     15#    You should have received a copy of the GNU General Public License
     16#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     17#
     18#
     19#    MoleCuilder - creates and alters molecular systems
     20#    Copyright (C) 2008-2012 University of Bonn
     21#
     22#    This program is free software: you can redistribute it and/or modify
     23#    it under the terms of the GNU General Public License as published by
     24#    the Free Software Foundation, either version 3 of the License, or
     25#    (at your option) any later version.
     26#
     27#    This program is distributed in the hope that it will be useful,
     28#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     29#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     30#    GNU General Public License for more details.
     31#
     32#    You should have received a copy of the GNU General Public License
     33#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     34#
    135### parsing xyz
    236

  • tests/regression/Parser/testsuite-parser.at

    r94d5ac6 r6253ed  
     1#
     2#    MoleCuilder - creates and alters molecular systems
     3#    Copyright (C) 2008-2012 University of Bonn
     4#
     5#    This program is free software: you can redistribute it and/or modify
     6#    it under the terms of the GNU General Public License as published by
     7#    the Free Software Foundation, either version 3 of the License, or
     8#    (at your option) any later version.
     9#
     10#    This program is distributed in the hope that it will be useful,
     11#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     12#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     13#    GNU General Public License for more details.
     14#
     15#    You should have received a copy of the GNU General Public License
     16#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     17#
     18#
     19#    MoleCuilder - creates and alters molecular systems
     20#    Copyright (C) 2008-2012 University of Bonn
     21#
     22#    This program is free software: you can redistribute it and/or modify
     23#    it under the terms of the GNU General Public License as published by
     24#    the Free Software Foundation, either version 3 of the License, or
     25#    (at your option) any later version.
     26#
     27#    This program is distributed in the hope that it will be useful,
     28#    but WITHOUT ANY WARRANTY; without even the implied warranty of
     29#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
     30#    GNU General Public License for more details.
     31#
     32#    You should have received a copy of the GNU General Public License
     33#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
     34#
    135AT_BANNER([MoleCuilder - Parser])
    236
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