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../
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VerletIntegrationAction.hpp
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379 bytes
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56f73b
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15 years
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FrederikHeber |
Added config.h also to all header files, code check test ascertain …
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VerletIntegrationAction.def
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1.7 KB
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95cfac
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11 years
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FrederikHeber |
Added FileSuffixValidator to all Actions where missing but …
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VerletIntegrationAction.cpp
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5.9 KB
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8c6b68
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8 years
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frederik.heber |
atom::removeStep() extended to removing interval of steps.
- …
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TranslateAction.hpp
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382 bytes
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066442
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11 years
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FrederikHeber |
Added TranslateMolecule action.
- added translate-molecule to …
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TranslateAction.def
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937 bytes
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066442
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11 years
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FrederikHeber |
Added TranslateMolecule action.
- added translate-molecule to …
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TranslateAction.cpp
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3.1 KB
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9eb71b3
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8 years
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frederik.heber |
Commented out MemDebug include and Memory::ignore.
- MemDebug clashes …
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StretchBondAction.hpp
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349 bytes
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3a51bd
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13 years
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FrederikHeber |
Added new StretchBondAction to stretch the bond within a molecule.
- …
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StretchBondAction.def
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1.2 KB
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bccbe9
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8 years
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frederik.heber |
Extracted extraction (subset of) nodes from BoostGraph into …
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StretchBondAction.cpp
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7.9 KB
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bccbe9
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8 years
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frederik.heber |
Extracted extraction (subset of) nodes from BoostGraph into …
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SaveTemperatureAction.hpp
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369 bytes
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56f73b
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15 years
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FrederikHeber |
Added config.h also to all header files, code check test ascertain …
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SaveTemperatureAction.def
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1.2 KB
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2affd1
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10 years
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FrederikHeber |
Removed molecules_deprecated from World and unnecessary includes of …
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SaveTemperatureAction.cpp
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2.9 KB
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9eb71b3
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8 years
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frederik.heber |
Commented out MemDebug include and Memory::ignore.
- MemDebug clashes …
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SaveSelectedMoleculesAction.hpp
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404 bytes
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fe6f20
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15 years
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FrederikHeber |
New Action SaveSelectedAtoms and renamed SaveAction -> …
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SaveSelectedMoleculesAction.def
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1.3 KB
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6ba9ba
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13 years
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FrederikHeber |
Default values are properly set by the Action into their …
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SaveSelectedMoleculesAction.cpp
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3.2 KB
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9eb71b3
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8 years
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frederik.heber |
Commented out MemDebug include and Memory::ignore.
- MemDebug clashes …
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SaveBondsAction.hpp
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339 bytes
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56f73b
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15 years
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FrederikHeber |
Added config.h also to all header files, code check test ascertain …
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SaveBondsAction.def
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1.1 KB
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2affd1
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10 years
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FrederikHeber |
Removed molecules_deprecated from World and unnecessary includes of …
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SaveBondsAction.cpp
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2.7 KB
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9eb71b3
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8 years
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frederik.heber |
Commented out MemDebug include and Memory::ignore.
- MemDebug clashes …
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SaveAdjacencyAction.hpp
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359 bytes
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56f73b
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15 years
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FrederikHeber |
Added config.h also to all header files, code check test ascertain …
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SaveAdjacencyAction.def
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1.2 KB
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2affd1
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10 years
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FrederikHeber |
Removed molecules_deprecated from World and unnecessary includes of …
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SaveAdjacencyAction.cpp
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3.0 KB
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9eb71b3
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8 years
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frederik.heber |
Commented out MemDebug include and Memory::ignore.
- MemDebug clashes …
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RotateToPrincipalAxisSystemAction.hpp
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429 bytes
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56f73b
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15 years
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FrederikHeber |
Added config.h also to all header files, code check test ascertain …
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RotateToPrincipalAxisSystemAction.def
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1.4 KB
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536b13
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8 years
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frederik.heber |
RotateToPrincipalAxisSystemAction now has Undo/Redo working.
- TESTS: …
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RotateToPrincipalAxisSystemAction.cpp
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3.9 KB
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536b13
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8 years
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frederik.heber |
RotateToPrincipalAxisSystemAction now has Undo/Redo working.
- TESTS: …
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RotateAroundSelfByAngleAction.hpp
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409 bytes
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56f73b
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15 years
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FrederikHeber |
Added config.h also to all header files, code check test ascertain …
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RotateAroundSelfByAngleAction.def
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1.4 KB
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2affd1
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10 years
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FrederikHeber |
Removed molecules_deprecated from World and unnecessary includes of …
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RotateAroundSelfByAngleAction.cpp
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4.9 KB
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9eb71b3
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8 years
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frederik.heber |
Commented out MemDebug include and Memory::ignore.
- MemDebug clashes …
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RotateAroundBondAction.hpp
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374 bytes
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788dce
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8 years
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frederik.heber |
Added RotateAroundBondAction.
- TESTS: added regression test.
- DOCU: …
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RotateAroundBondAction.def
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1.4 KB
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788dce
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8 years
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frederik.heber |
Added RotateAroundBondAction.
- TESTS: added regression test.
- DOCU: …
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RotateAroundBondAction.cpp
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7.5 KB
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d1134d
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8 years
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frederik.heber |
FIX: rotate-around-bond now rotates only one side of mol's bond graph. …
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RemoveAction.hpp
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356 bytes
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867473
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11 years
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FrederikHeber |
Added new RemoveAction for molecules.
- also add regression test.
- …
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RemoveAction.def
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1.1 KB
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867473
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11 years
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FrederikHeber |
Added new RemoveAction for molecules.
- also add regression test.
- …
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RemoveAction.cpp
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3.6 KB
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9eb71b3
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8 years
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frederik.heber |
Commented out MemDebug include and Memory::ignore.
- MemDebug clashes …
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LoadAction.hpp
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331 bytes
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56f73b
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15 years
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FrederikHeber |
Added config.h also to all header files, code check test ascertain …
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LoadAction.def
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1.4 KB
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6ba9ba
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13 years
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FrederikHeber |
Default values are properly set by the Action into their …
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LoadAction.cpp
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5.8 KB
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9eb71b3
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8 years
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frederik.heber |
Commented out MemDebug include and Memory::ignore.
- MemDebug clashes …
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LinearInterpolationofTrajectoriesAction.hpp
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444 bytes
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56f73b
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15 years
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FrederikHeber |
Added config.h also to all header files, code check test ascertain …
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LinearInterpolationofTrajectoriesAction.def
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1.6 KB
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2affd1
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10 years
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FrederikHeber |
Removed molecules_deprecated from World and unnecessary includes of …
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LinearInterpolationofTrajectoriesAction.cpp
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3.2 KB
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9eb71b3
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8 years
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frederik.heber |
Commented out MemDebug include and Memory::ignore.
- MemDebug clashes …
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ForceAnnealingAction.hpp
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364 bytes
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1a48d2
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11 years
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FrederikHeber |
Added ForceAnnealingAction.
- also added regression test.
- performs …
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ForceAnnealingAction.def
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2.3 KB
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c87d6e
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8 years
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frederik.heber |
ForceAnnealingAction's Undo removes trajectory item if it was added.
…
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ForceAnnealingAction.cpp
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6.5 KB
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4b2adf
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7 years
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frederik.heber |
ForceAnnealiing now returns bool to indicate stop condition for …
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CopyAction.hpp
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314 bytes
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56f73b
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15 years
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FrederikHeber |
Added config.h also to all header files, code check test ascertain …
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CopyAction.def
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1.1 KB
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6ba9ba
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13 years
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FrederikHeber |
Default values are properly set by the Action into their …
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CopyAction.cpp
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2.6 KB
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9eb71b3
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8 years
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frederik.heber |
Commented out MemDebug include and Memory::ignore.
- MemDebug clashes …
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ChangeNameAction.hpp
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346 bytes
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56f73b
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15 years
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FrederikHeber |
Added config.h also to all header files, code check test ascertain …
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ChangeNameAction.def
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1.1 KB
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2affd1
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10 years
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FrederikHeber |
Removed molecules_deprecated from World and unnecessary includes of …
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ChangeNameAction.cpp
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2.5 KB
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9eb71b3
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8 years
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frederik.heber |
Commented out MemDebug include and Memory::ignore.
- MemDebug clashes …
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ChangeBondAngleAction.hpp
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369 bytes
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8b886f
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13 years
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FrederikHeber |
Added ChangeBondAngleAction that changes the bond angle while keeping …
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ChangeBondAngleAction.def
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1.4 KB
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8b886f
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13 years
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FrederikHeber |
Added ChangeBondAngleAction that changes the bond angle while keeping …
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ChangeBondAngleAction.cpp
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6.6 KB
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9eb71b3
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8 years
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frederik.heber |
Commented out MemDebug include and Memory::ignore.
- MemDebug clashes …
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BondFileAction.hpp
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334 bytes
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56f73b
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15 years
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FrederikHeber |
Added config.h also to all header files, code check test ascertain …
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BondFileAction.def
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1.4 KB
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2affd1
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10 years
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FrederikHeber |
Removed molecules_deprecated from World and unnecessary includes of …
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BondFileAction.cpp
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3.0 KB
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9eb71b3
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8 years
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frederik.heber |
Commented out MemDebug include and Memory::ignore.
- MemDebug clashes …
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