source: tests/regression@ 1e490ec

Candidate_v1.7.0 stable
Name Size Rev Age Author Last Change
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Analysis d9e1d1   5 years frederik.heber Extending PairCorrelation to correlate element and set of atoms. - …
Atoms 43552e   7 years frederik.heber DISTFIX: Atom regression test RandomPerturbation did mark the input …
Bond 5fa1e86   5 years frederik.heber Added BondifyAction. - this allows to add non-hydrogen bonds and is …
Domain 4fc0ea   8 years frederik.heber TESTFIX: Changes to various regression and Python tests because of …
Filling 209f4c   7 years frederik.heber TESTS: Fixed FillSurface and FillVolumne, recreated GuiChecks. - …
Fragmentation 999eaf   5 years frederik.heber Added EvaluateStabilityAction to estimate a molecule's stability. - …
Geometry a9db89   8 years frederik.heber FIX: regression test Geometry common still used position instead of …
Graph 5061d9   5 years frederik.heber Added action to print selected atoms as graph6 string. - added …
Molecules d40189   5 years frederik.heber OutputTemperature -> OutputEnergies, SaveTemperature -> SaveEnergies. …
Options 0ec9f5   5 years frederik.heber Added UndoMarkAction. NOTE: This action is necessary as not all …
Parser 4fc0ea   8 years frederik.heber TESTFIX: Changes to various regression and Python tests because of …
Potential f45a91   9 years FrederikHeber TESTFIX: Redid all homology containers for potential fitting …
RandomNumbers 62c378a   11 years FrederikHeber FIX: Made checks in random number engine and distribution regression …
Selection 4de4f6   5 years frederik.heber Added AtomBondNeighbors selection action. - DOCU: Added to userguide. …
Tesselation c66ae6   10 years FrederikHeber TESTFIX: Added AdjacencyMatcher to correctly compare .adj files in …
WorldTime 137845   8 years frederik.heber StepWorldTime now has a single argument. - this was not possible due …
adjacencymatcher.in 572 bytes 2edf77   10 years FrederikHeber DISTFIX: Added AdjacencyMatcher and TriangleMatcher noinst targets. - …
atlocal.in 109 bytes 490038   15 years FrederikHeber added --with-valgrind switch to configure script. - if given, we use …
DiffFragmentResultContainer.cpp 3.3 KB d86d97   8 years frederik.heber FIX: FragmentResultsContainer is no longer purged during run. - so …
difffragmentresultcontainer.in 587 bytes 557b39   8 years frederik.heber boost::serialization changed text output format. - needed to write …
Makefile.am 20.2 KB 999eaf   5 years frederik.heber Added EvaluateStabilityAction to estimate a molecule's stability. - …
molecuilder.in 514 bytes e85333   14 years FrederikHeber DISTCHECKFIX: AUTOTEST_PATH is now used as path to moleculder in …
runpython.in 1.0 KB 7672284   9 years FrederikHeber FIX: install target now works with multiple threads. - the problem …
testsuite.at 2.2 KB 467b2b   8 years frederik.heber Added regression test for all four geometry Actions and common …
trianglematcher.in 581 bytes 2edf77   10 years FrederikHeber DISTFIX: Added AdjacencyMatcher and TriangleMatcher noinst targets. - …
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