../
|
BondFileAction.cpp
|
3.0 KB
|
26b4d62
|
11 years
|
FrederikHeber |
All Actions now give correct failure status via STATUS() macro.
|
BondFileAction.def
|
1.4 KB
|
6ba9ba
|
13 years
|
FrederikHeber |
Default values are properly set by the Action into their …
|
BondFileAction.hpp
|
334 bytes
|
56f73b
|
14 years
|
FrederikHeber |
Added config.h also to all header files, code check test ascertain …
|
ChangeBondAngleAction.cpp
|
6.6 KB
|
26b4d62
|
11 years
|
FrederikHeber |
All Actions now give correct failure status via STATUS() macro.
|
ChangeBondAngleAction.def
|
1.4 KB
|
8b886f
|
12 years
|
FrederikHeber |
Added ChangeBondAngleAction that changes the bond angle while keeping …
|
ChangeBondAngleAction.hpp
|
369 bytes
|
8b886f
|
12 years
|
FrederikHeber |
Added ChangeBondAngleAction that changes the bond angle while keeping …
|
ChangeNameAction.cpp
|
2.5 KB
|
26b4d62
|
11 years
|
FrederikHeber |
All Actions now give correct failure status via STATUS() macro.
|
ChangeNameAction.def
|
1.1 KB
|
6ba9ba
|
13 years
|
FrederikHeber |
Default values are properly set by the Action into their …
|
ChangeNameAction.hpp
|
346 bytes
|
56f73b
|
14 years
|
FrederikHeber |
Added config.h also to all header files, code check test ascertain …
|
CopyAction.cpp
|
2.6 KB
|
833b15
|
10 years
|
FrederikHeber |
FIX: Changes to function signatures in molecule_geometry.
- no more …
|
CopyAction.def
|
1.1 KB
|
6ba9ba
|
13 years
|
FrederikHeber |
Default values are properly set by the Action into their …
|
CopyAction.hpp
|
314 bytes
|
56f73b
|
14 years
|
FrederikHeber |
Added config.h also to all header files, code check test ascertain …
|
ForceAnnealingAction.cpp
|
5.1 KB
|
8cc22f
|
10 years
|
FrederikHeber |
Changed how trajectories are stored, not as vecor but as map.
- …
|
ForceAnnealingAction.def
|
1.8 KB
|
95cfac
|
10 years
|
FrederikHeber |
Added FileSuffixValidator to all Actions where missing but …
|
ForceAnnealingAction.hpp
|
364 bytes
|
1a48d2
|
10 years
|
FrederikHeber |
Added ForceAnnealingAction.
- also added regression test.
- performs …
|
LinearInterpolationofTrajectoriesAction.cpp
|
3.2 KB
|
26b4d62
|
11 years
|
FrederikHeber |
All Actions now give correct failure status via STATUS() macro.
|
LinearInterpolationofTrajectoriesAction.def
|
1.6 KB
|
6ba9ba
|
13 years
|
FrederikHeber |
Default values are properly set by the Action into their …
|
LinearInterpolationofTrajectoriesAction.hpp
|
444 bytes
|
56f73b
|
14 years
|
FrederikHeber |
Added config.h also to all header files, code check test ascertain …
|
LoadAction.cpp
|
5.9 KB
|
6e8ef5
|
10 years
|
FrederikHeber |
MEMFIX: LoadAction undo must not use molecule::iterator for atom removal.
|
LoadAction.def
|
1.4 KB
|
6ba9ba
|
13 years
|
FrederikHeber |
Default values are properly set by the Action into their …
|
LoadAction.hpp
|
331 bytes
|
56f73b
|
14 years
|
FrederikHeber |
Added config.h also to all header files, code check test ascertain …
|
RemoveAction.cpp
|
3.6 KB
|
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.hpp
|
356 bytes
|
867473
|
10 years
|
FrederikHeber |
Added new RemoveAction for molecules.
- also add regression test.
- …
|
RotateAroundSelfByAngleAction.cpp
|
4.7 KB
|
833b15
|
10 years
|
FrederikHeber |
FIX: Changes to function signatures in molecule_geometry.
- no more …
|
RotateAroundSelfByAngleAction.def
|
1.4 KB
|
7a1e7d
|
12 years
|
ankele |
VectorNotZeroValidator added (for actions using rotation axis)
|
RotateAroundSelfByAngleAction.hpp
|
409 bytes
|
56f73b
|
14 years
|
FrederikHeber |
Added config.h also to all header files, code check test ascertain …
|
RotateToPrincipalAxisSystemAction.cpp
|
3.0 KB
|
26b4d62
|
11 years
|
FrederikHeber |
All Actions now give correct failure status via STATUS() macro.
|
RotateToPrincipalAxisSystemAction.def
|
1.3 KB
|
7a1e7d
|
12 years
|
ankele |
VectorNotZeroValidator added (for actions using rotation axis)
|
RotateToPrincipalAxisSystemAction.hpp
|
429 bytes
|
56f73b
|
14 years
|
FrederikHeber |
Added config.h also to all header files, code check test ascertain …
|
SaveAdjacencyAction.cpp
|
3.0 KB
|
26b4d62
|
11 years
|
FrederikHeber |
All Actions now give correct failure status via STATUS() macro.
|
SaveAdjacencyAction.def
|
1.2 KB
|
6ba9ba
|
13 years
|
FrederikHeber |
Default values are properly set by the Action into their …
|
SaveAdjacencyAction.hpp
|
359 bytes
|
56f73b
|
14 years
|
FrederikHeber |
Added config.h also to all header files, code check test ascertain …
|
SaveBondsAction.cpp
|
2.7 KB
|
26b4d62
|
11 years
|
FrederikHeber |
All Actions now give correct failure status via STATUS() macro.
|
SaveBondsAction.def
|
1.2 KB
|
6ba9ba
|
13 years
|
FrederikHeber |
Default values are properly set by the Action into their …
|
SaveBondsAction.hpp
|
339 bytes
|
56f73b
|
14 years
|
FrederikHeber |
Added config.h also to all header files, code check test ascertain …
|
SaveSelectedMoleculesAction.cpp
|
3.2 KB
|
26b4d62
|
11 years
|
FrederikHeber |
All Actions now give correct failure status via STATUS() macro.
|
SaveSelectedMoleculesAction.def
|
1.3 KB
|
6ba9ba
|
13 years
|
FrederikHeber |
Default values are properly set by the Action into their …
|
SaveSelectedMoleculesAction.hpp
|
404 bytes
|
fe6f20
|
14 years
|
FrederikHeber |
New Action SaveSelectedAtoms and renamed SaveAction -> …
|
SaveTemperatureAction.cpp
|
2.9 KB
|
26b4d62
|
11 years
|
FrederikHeber |
All Actions now give correct failure status via STATUS() macro.
|
SaveTemperatureAction.def
|
1.2 KB
|
6ba9ba
|
13 years
|
FrederikHeber |
Default values are properly set by the Action into their …
|
SaveTemperatureAction.hpp
|
369 bytes
|
56f73b
|
14 years
|
FrederikHeber |
Added config.h also to all header files, code check test ascertain …
|
StretchBondAction.cpp
|
5.3 KB
|
26b4d62
|
11 years
|
FrederikHeber |
All Actions now give correct failure status via STATUS() macro.
|
StretchBondAction.def
|
1.2 KB
|
3a51bd
|
12 years
|
FrederikHeber |
Added new StretchBondAction to stretch the bond within a molecule.
- …
|
StretchBondAction.hpp
|
349 bytes
|
3a51bd
|
12 years
|
FrederikHeber |
Added new StretchBondAction to stretch the bond within a molecule.
- …
|
TranslateAction.cpp
|
3.0 KB
|
329cf3
|
10 years
|
FrederikHeber |
FIX: All MakroActions now have prototype_actions and copy from that.
…
|
TranslateAction.def
|
937 bytes
|
066442
|
10 years
|
FrederikHeber |
Added TranslateMolecule action.
- added translate-molecule to …
|
TranslateAction.hpp
|
382 bytes
|
066442
|
10 years
|
FrederikHeber |
Added TranslateMolecule action.
- added translate-molecule to …
|
VerletIntegrationAction.cpp
|
5.8 KB
|
8cc22f
|
10 years
|
FrederikHeber |
Changed how trajectories are stored, not as vecor but as map.
- …
|
VerletIntegrationAction.def
|
1.7 KB
|
95cfac
|
10 years
|
FrederikHeber |
Added FileSuffixValidator to all Actions where missing but …
|
VerletIntegrationAction.hpp
|
379 bytes
|
56f73b
|
14 years
|
FrederikHeber |
Added config.h also to all header files, code check test ascertain …
|