source: src/Actions/MoleculeAction@ 25d9d9

Fix_BoundInBox_CenterInBox_MoleculeActions
Name Size Rev Age Author Last Change
../
VerletIntegrationAction.hpp 379 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
VerletIntegrationAction.def 1.7 KB ​ 95cfac   11 years FrederikHeber Added FileSuffixValidator to all Actions where missing but …
VerletIntegrationAction.cpp 5.8 KB ​ 8cc22f   11 years FrederikHeber Changed how trajectories are stored, not as vecor but as map. - …
TranslateAction.hpp 382 bytes ​ 066442   10 years FrederikHeber Added TranslateMolecule action. - added translate-molecule to …
TranslateAction.def 937 bytes ​ 066442   10 years FrederikHeber Added TranslateMolecule action. - added translate-molecule to …
TranslateAction.cpp 3.1 KB ​ 10aee4   10 years FrederikHeber Cleaned up ActionQueue's interface: Actions are always cloned. - …
StretchBondAction.hpp 349 bytes ​ 3a51bd   13 years FrederikHeber Added new StretchBondAction to stretch the bond within a molecule. - …
StretchBondAction.def 1.2 KB ​ 3a51bd   13 years FrederikHeber Added new StretchBondAction to stretch the bond within a molecule. - …
StretchBondAction.cpp 5.5 KB ​ 63fb7a   10 years FrederikHeber Replaced getMolecule() by const access version where possible. - so …
SaveTemperatureAction.hpp 369 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
SaveTemperatureAction.def 1.2 KB ​ 2affd1   9 years FrederikHeber Removed molecules_deprecated from World and unnecessary includes of …
SaveTemperatureAction.cpp 2.9 KB ​ 99db9b   10 years FrederikHeber Replaced all World::getSelected...() to const version where possible. …
SaveSelectedMoleculesAction.hpp 404 bytes ​ fe6f20   14 years FrederikHeber New Action SaveSelectedAtoms and renamed SaveAction -> …
SaveSelectedMoleculesAction.def 1.3 KB ​ 6ba9ba   13 years FrederikHeber Default values are properly set by the Action into their …
SaveSelectedMoleculesAction.cpp 3.2 KB ​ 26b4d62   11 years FrederikHeber All Actions now give correct failure status via STATUS() macro.
SaveBondsAction.hpp 339 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
SaveBondsAction.def 1.1 KB ​ 2affd1   9 years FrederikHeber Removed molecules_deprecated from World and unnecessary includes of …
SaveBondsAction.cpp 2.7 KB ​ 26b4d62   11 years FrederikHeber All Actions now give correct failure status via STATUS() macro.
SaveAdjacencyAction.hpp 359 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
SaveAdjacencyAction.def 1.2 KB ​ 2affd1   9 years FrederikHeber Removed molecules_deprecated from World and unnecessary includes of …
SaveAdjacencyAction.cpp 3.0 KB ​ 26b4d62   11 years FrederikHeber All Actions now give correct failure status via STATUS() macro.
RotateToPrincipalAxisSystemAction.hpp 429 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
RotateToPrincipalAxisSystemAction.def 1.3 KB ​ 2affd1   9 years FrederikHeber Removed molecules_deprecated from World and unnecessary includes of …
RotateToPrincipalAxisSystemAction.cpp 3.0 KB ​ 26b4d62   11 years FrederikHeber All Actions now give correct failure status via STATUS() macro.
RotateAroundSelfByAngleAction.hpp 409 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
RotateAroundSelfByAngleAction.def 1.4 KB ​ 2affd1   9 years FrederikHeber Removed molecules_deprecated from World and unnecessary includes of …
RotateAroundSelfByAngleAction.cpp 4.9 KB ​ b8463f   10 years FrederikHeber FIX: RotateAroundSelf converted rotation angle to rad in params. - …
RemoveAction.hpp 356 bytes ​ 867473   10 years FrederikHeber Added new RemoveAction for molecules. - also add regression test. - …
RemoveAction.def 1.1 KB ​ 867473   10 years FrederikHeber Added new RemoveAction for molecules. - also add regression test. - …
RemoveAction.cpp 3.6 KB ​ 08111a   9 years FrederikHeber FIX: Added copy cstor for AtomicInfo. - otherwise AtomicInfo is …
LoadAction.hpp 331 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
LoadAction.def 1.4 KB ​ 6ba9ba   13 years FrederikHeber Default values are properly set by the Action into their …
LoadAction.cpp 5.8 KB ​ 2affd1   9 years FrederikHeber Removed molecules_deprecated from World and unnecessary includes of …
LinearInterpolationofTrajectoriesAction.hpp 444 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
LinearInterpolationofTrajectoriesAction.def 1.6 KB ​ 2affd1   9 years FrederikHeber Removed molecules_deprecated from World and unnecessary includes of …
LinearInterpolationofTrajectoriesAction.cpp 3.2 KB ​ 26b4d62   11 years FrederikHeber All Actions now give correct failure status via STATUS() macro.
ForceAnnealingAction.hpp 364 bytes ​ 1a48d2   11 years FrederikHeber Added ForceAnnealingAction. - also added regression test. - performs …
ForceAnnealingAction.def 1.8 KB ​ 95cfac   11 years FrederikHeber Added FileSuffixValidator to all Actions where missing but …
ForceAnnealingAction.cpp 5.1 KB ​ 8cc22f   11 years FrederikHeber Changed how trajectories are stored, not as vecor but as map. - …
CopyAction.hpp 314 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
CopyAction.def 1.1 KB ​ 6ba9ba   13 years FrederikHeber Default values are properly set by the Action into their …
CopyAction.cpp 2.6 KB ​ 833b15   11 years FrederikHeber FIX: Changes to function signatures in molecule_geometry. - no more …
ChangeNameAction.hpp 346 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
ChangeNameAction.def 1.1 KB ​ 2affd1   9 years FrederikHeber Removed molecules_deprecated from World and unnecessary includes of …
ChangeNameAction.cpp 2.5 KB ​ 26b4d62   11 years FrederikHeber All Actions now give correct failure status via STATUS() macro.
ChangeBondAngleAction.hpp 369 bytes ​ 8b886f   12 years FrederikHeber Added ChangeBondAngleAction that changes the bond angle while keeping …
ChangeBondAngleAction.def 1.4 KB ​ 8b886f   12 years FrederikHeber Added ChangeBondAngleAction that changes the bond angle while keeping …
ChangeBondAngleAction.cpp 6.6 KB ​ 26b4d62   11 years FrederikHeber All Actions now give correct failure status via STATUS() macro.
CenterInBoxAction.hpp 354 bytes ​ 25d9d9   9 years FrederikHeber FIX: CenterInBox and BoundInBox are actions acting on molecules, not …
CenterInBoxAction.def 1.4 KB ​ 25d9d9   9 years FrederikHeber FIX: CenterInBox and BoundInBox are actions acting on molecules, not …
CenterInBoxAction.cpp 5.4 KB ​ 25d9d9   9 years FrederikHeber FIX: CenterInBox and BoundInBox are actions acting on molecules, not …
BoundInBoxAction.hpp 349 bytes ​ 25d9d9   9 years FrederikHeber FIX: CenterInBox and BoundInBox are actions acting on molecules, not …
BoundInBoxAction.def 1.1 KB ​ 25d9d9   9 years FrederikHeber FIX: CenterInBox and BoundInBox are actions acting on molecules, not …
BoundInBoxAction.cpp 4.1 KB ​ 25d9d9   9 years FrederikHeber FIX: CenterInBox and BoundInBox are actions acting on molecules, not …
BondFileAction.hpp 334 bytes ​ 56f73b   14 years FrederikHeber Added config.h also to all header files, code check test ascertain …
BondFileAction.def 1.4 KB ​ 2affd1   9 years FrederikHeber Removed molecules_deprecated from World and unnecessary includes of …
BondFileAction.cpp 3.0 KB ​ 26b4d62   11 years FrederikHeber All Actions now give correct failure status via STATUS() macro.
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