Ignore:
Timestamp:
Jun 21, 2017, 10:02:14 PM (8 years ago)
Author:
Frederik Heber <frederik.heber@…>
Branches:
Action_Thermostats, Add_AtomRandomPerturbation, Add_SelectAtomByNameAction, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_StructOpt_integration_tests, AutomationFragmentation_failures, Candidate_v1.6.1, ChangeBugEmailaddress, ChemicalSpaceEvaluator, EmpiricalPotential_contain_HomologyGraph_documentation, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, Fix_Verbose_Codepatterns, ForceAnnealing_oldresults, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, Gui_displays_atomic_force_velocity, IndependentFragmentGrids_IntegrationTest, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, StoppableMakroAction, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps
Children:
78ea3c
Parents:
9a9f847 (diff), 6116df (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.
Message:

Merge branch 'GeometryObjects' into Candidate_v1.6.1

File:
1 edited

Legend:

Unmodified
Added
Removed
  • tests/Python/AllActions/options.dat

    r9a9f847 rbe848d  
    4444convex-envelope "50."
    4545convex-file     "convexfile"
     46coordinates     "1,0,0"
    4647copy-molecule   "0"
    4748count   "12"
     
    5859distance-to-molecule    "1.5"
    5960distance-to-molecule    "2.1"
     61distance-to-vector      "named_vector"
    6062domain-position "0.  0. 0."
    6163domain-position "0 0 0"
     
    9294id-mapping      "1"
    9395input   "test.data"
     96input-to-vector "named_vector"
    9497inter-order     "2"
    9598interpolation-degree    "5"
     
    141144periodic        "0"
    142145plane-offset    "5."
     146plane-to-vector "named_vector"
    143147position        "0 0 0"
    144148position        "0 0 1"
     
    150154position        "7.283585982 3.275186040 3.535886037"
    151155position        "9.78 2.64 2.64"
     156position-to-vector      "named_vector"
    152157potential-charges       "1 1"
    153158potential-type  "morse"
     
    157162random-number-distribution-parameters   "max=20;"
    158163random-number-engine-parameters "seed=2;"
     164remove-geometry "named_vector"
    159165repeat-box      "1 1 1"
    160166reset   1
     167reverse "0"
    161168rotate-around-origin    "180."
    162169rotate-around-origin    "20."
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