source: tests/regression@ 596aac

Add_FitFragmentPartialChargesAction Fix_ChargeSampling_PBC Fix_FitPartialCharges
Name Size Rev Age Author Last Change
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Analysis 16c7dd   11 years FrederikHeber Removed FillVoidWithMolecule and FillWithMolecule actions. - these …
Atoms 3fb9ab   9 years FrederikHeber FIX: Preventing MPQC from using old temp files for restart. - …
Bond 596aac   9 years FrederikHeber Added BondSetDegreeAction for manipulating bond degrees.
Domain 2fe4a5   9 years FrederikHeber TESTFIX: Changed all parse-tremolo-potential calls to …
Filling 2fe4a5   9 years FrederikHeber TESTFIX: Changed all parse-tremolo-potential calls to …
Fragmentation 72b467   9 years FrederikHeber ParseFragmentResultsAction warns when parsing container with grids and …
Graph c56922   10 years FrederikHeber TESTFIX: regression test DepthFirstSearch had extra linebreak.
Molecules 2fe4a5   9 years FrederikHeber TESTFIX: Changed all parse-tremolo-potential calls to …
Options 4d1aef   9 years FrederikHeber Added single action to step backward and forward through time. - …
Parser 3fb9ab   9 years FrederikHeber FIX: Preventing MPQC from using old temp files for restart. - …
Potential 87662aa   9 years FrederikHeber TESTFIX: regression test fit-partial-charges needs to contains …
RandomNumbers 62c378a   11 years FrederikHeber FIX: Made checks in random number engine and distribution regression …
Selection d72064   9 years FrederikHeber TESTS: Trimmed down PopMoleculesSelection regression test. - this …
Tesselation c66ae6   10 years FrederikHeber TESTFIX: Added AdjacencyMatcher to correctly compare .adj files in …
WorldTime 2a28cd   9 years FrederikHeber FIX: RegistryDeserializer stumbled over comments.
adjacencymatcher.in 572 bytes 2edf77   9 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 …
Makefile.am 17.4 KB 596aac   9 years FrederikHeber Added BondSetDegreeAction for manipulating bond degrees.
molecuilder.in 514 bytes e85333   14 years FrederikHeber DISTCHECKFIX: AUTOTEST_PATH is now used as path to moleculder in …
runpython.in 1.0 KB 893426   12 years FrederikHeber Split regression test testsuite-options-store-session in two files. - …
testsuite.at 2.1 KB 4d1aef   9 years FrederikHeber Added single action to step backward and forward through time. - …
trianglematcher.in 581 bytes 2edf77   9 years FrederikHeber DISTFIX: Added AdjacencyMatcher and TriangleMatcher noinst targets. - …
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