source: tests/regression@ 25d9d9

Fix_BoundInBox_CenterInBox_MoleculeActions
Name Size Rev Age Author Last Change
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Tesselation c66ae6   10 years FrederikHeber TESTFIX: Added AdjacencyMatcher to correctly compare .adj files in …
Selection d72064   9 years FrederikHeber TESTS: Trimmed down PopMoleculesSelection regression test. - this …
RandomNumbers 62c378a   11 years FrederikHeber FIX: Made checks in random number engine and distribution regression …
Potential 50d49d   9 years FrederikHeber FIX: Renamed FitParticleCharges -> FitPartialCharges. - fitting …
Parser e3c4c5   10 years FrederikHeber MpqcParser additionally allows to save optimization jobs. - this is …
Options f3db60   10 years FrederikHeber Added DryRun and NoDryRun actions. - actions (un)set a flag inside …
Molecules 7daf73   9 years FrederikHeber LinkedCell's LinkedList is now a vector and no longer a set. - this …
Graph c56922   10 years FrederikHeber TESTFIX: regression test DepthFirstSearch had extra linebreak.
Fragmentation 835b53   9 years FrederikHeber TESTFIX: Needed to check whether long-range capability is compiled in. …
Filling df0c80   9 years FrederikHeber FIX: Filling actions did not use minimum distance for tesselated …
Domain 25d9d9   9 years FrederikHeber FIX: CenterInBox and BoundInBox are actions acting on molecules, not …
Bond c66ae6   10 years FrederikHeber TESTFIX: Added AdjacencyMatcher to correctly compare .adj files in …
Atoms ceaab1   10 years FrederikHeber AddAtom now adds a molecule (atom always associated with a molecule). …
Analysis 16c7dd   11 years FrederikHeber Removed FillVoidWithMolecule and FillWithMolecule actions. - these …
trianglematcher.in 581 bytes 2edf77   9 years FrederikHeber DISTFIX: Added AdjacencyMatcher and TriangleMatcher noinst targets. - …
testsuite.at 2.1 KB f5724f   12 years FrederikHeber Moved all FragmentationActions related to potentials into own menu and …
runpython.in 1.0 KB 893426   12 years FrederikHeber Split regression test testsuite-options-store-session in two files. - …
molecuilder.in 514 bytes e85333   14 years FrederikHeber DISTCHECKFIX: AUTOTEST_PATH is now used as path to moleculder in …
Makefile.am 17.1 KB 25d9d9   9 years FrederikHeber FIX: CenterInBox and BoundInBox are actions acting on molecules, not …
atlocal.in 109 bytes 490038   15 years FrederikHeber added --with-valgrind switch to configure script. - if given, we use …
adjacencymatcher.in 572 bytes 2edf77   9 years FrederikHeber DISTFIX: Added AdjacencyMatcher and TriangleMatcher noinst targets. - …
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