../
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Actions
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663606
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12 years
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FrederikHeber |
SelectionShapeByNameAction added
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Analysis
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94d5ac6
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12 years
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FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
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Atom
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94d5ac6
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12 years
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FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
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Bond
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94d5ac6
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12 years
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FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
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Descriptors
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94d5ac6
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12 years
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FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
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documentation
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a10cc0
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12 years
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FrederikHeber |
Moved all Fragmentation/Automation into new subpackage JobMarket.
- …
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Dynamics
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94d5ac6
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12 years
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FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
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Element
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94d5ac6
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12 years
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FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
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Filling
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94d5ac6
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12 years
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FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
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Fragmentation
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b8f64f
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12 years
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FrederikHeber |
FIX: Fixed printing of AtomMask.
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Graph
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94d5ac6
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12 years
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FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
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Helpers
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94d5ac6
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12 years
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FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
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Jobs
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94d5ac6
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12 years
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FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
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LinkedCell
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94d5ac6
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12 years
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FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
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Parameters
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4cd00e
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12 years
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FrederikHeber |
ShapeName/TypeValidator implemented and renamed
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Parser
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94d5ac6
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12 years
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FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
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RandomNumbers
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7edb2c
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12 years
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FrederikHeber |
RandomNumbers and Shapes are now (installed) shared not convenience …
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Shapes
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8f12de
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12 years
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FrederikHeber |
Shapes now selectable in ShapeRegistry
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Tesselation
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94d5ac6
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12 years
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FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
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Thermostats
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94d5ac6
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12 years
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FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
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UIElements
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43c79a
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12 years
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FrederikHeber |
QtShapeList can now show which shapes are selected (not interactive yet!)
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unittests
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94d5ac6
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12 years
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FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
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AtomIdSet.cpp
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5.8 KB
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94d5ac6
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12 years
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FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
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AtomIdSet.hpp
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1.8 KB
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6aad6f
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13 years
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FrederikHeber |
FIX: molecule::containsAtom() is now const and has const param, added …
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Box.cpp
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12.1 KB
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94d5ac6
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12 years
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FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
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Box.hpp
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4.6 KB
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97f9b9
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13 years
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FrederikHeber |
SetBoundaryConditionsAction requires vector<string> instead of string …
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Box_BoundaryConditions.cpp
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7.3 KB
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94d5ac6
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12 years
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FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
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Box_BoundaryConditions.hpp
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2.4 KB
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de2031
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13 years
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FrederikHeber |
BoundaryConditionValidator implemented
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builder.cpp
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1.5 KB
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94d5ac6
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12 years
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FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
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builder_init.cpp
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4.7 KB
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1795c9
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12 years
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FrederikHeber |
FIX: Fixed typo in ProgramHeader().
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builder_init.hpp
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329 bytes
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b5d38d
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13 years
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FrederikHeber |
Moved dumpMemory() and saveAll() from module builder_init to cleanUp.
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cleanUp.cpp
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5.3 KB
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94d5ac6
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12 years
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FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
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cleanUp.hpp
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354 bytes
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567357
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13 years
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FrederikHeber |
FIX: cleanUp() replaced by module_reinit() and .._exit() in …
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config.cpp
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1.8 KB
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94d5ac6
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12 years
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FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
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config.hpp
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483 bytes
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41a467
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13 years
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FrederikHeber |
LARGE: config class is now just a tiny container.
- this was …
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controller.cpp
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1.2 KB
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94d5ac6
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12 years
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FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
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controller_AddOn_MPQCCommandJob.cpp
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1.2 KB
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94d5ac6
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12 years
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FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
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controller_MPQCCommandJob.cpp
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13.7 KB
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94d5ac6
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12 years
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FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
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controller_MPQCCommandJob.hpp
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1.1 KB
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856d05
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12 years
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FrederikHeber |
MEMFIX: Added WorldTime and ObserverLog ::purgeInstance() calls.
- …
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ControllerOptions_MPQCCommandJob.cpp
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2.4 KB
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94d5ac6
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12 years
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FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
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ControllerOptions_MPQCCommandJob.hpp
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910 bytes
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856d05
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12 years
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FrederikHeber |
MEMFIX: Added WorldTime and ObserverLog ::purgeInstance() calls.
- …
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Formula.cpp
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15.1 KB
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94d5ac6
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12 years
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FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
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Formula.hpp
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4.0 KB
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47ed3d
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13 years
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FrederikHeber |
Removed some old output functions in element, Formula, and molecule.
…
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IdPool.hpp
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2.8 KB
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b97a60
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13 years
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FrederikHeber |
Modified IdPool implementation to give either unique or continuous …
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IdPool_impl.hpp
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3.7 KB
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5a4cbc
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13 years
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FrederikHeber |
VERBOSITY: Increased verbosity threshold of some outputs connected to …
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IdPool_policy.hpp
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1.0 KB
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b97a60
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13 years
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FrederikHeber |
Modified IdPool implementation to give either unique or continuous …
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Makefile.am
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15.3 KB
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eb0d77
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12 years
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FrederikHeber |
FIX: Shared library libMolecuilderJobs needs to be given explicitly …
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molecule.cpp
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37.8 KB
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94d5ac6
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12 years
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FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
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molecule.hpp
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8.9 KB
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5b6a4b7
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12 years
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ankele |
molecule: RotateToPrincipalAxisSystem only needs a const Vector for axis
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molecule_geometry.cpp
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18.2 KB
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94d5ac6
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12 years
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FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
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molecule_graph.cpp
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14.0 KB
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94d5ac6
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12 years
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FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
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MoleculeLeafClass.cpp
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9.9 KB
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94d5ac6
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12 years
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FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
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MoleculeLeafClass.hpp
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1.4 KB
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07a47e
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13 years
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FrederikHeber |
Replaced enable/disable-hydrogen by internal switch.
- changes in …
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moleculelist.cpp
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21.8 KB
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94d5ac6
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12 years
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FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
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MoleculeListClass.hpp
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1.4 KB
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4d2b33
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13 years
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FrederikHeber |
FIX: molecule does not need a periodentafel.
- removed periodentafel …
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poolworker.cpp
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1.2 KB
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94d5ac6
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12 years
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FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
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Server.cpp
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1.1 KB
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94d5ac6
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12 years
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FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
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types.hpp
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482 bytes
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56f73b
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14 years
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FrederikHeber |
Added config.h also to all header files, code check test ascertain …
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version.h
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103 bytes
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5f8660a
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14 years
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FrederikHeber |
Changed PACKAGENAME and version.
- rename ESPACKVersion in …
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World.cpp
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23.0 KB
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94d5ac6
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12 years
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FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
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World.hpp
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15.6 KB
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992bd5
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13 years
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ankele |
fixed some typoes in comments
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World_calculations.hpp
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743 bytes
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3139b2
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13 years
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FrederikHeber |
Renamed ActionTrait and ActionTraits.
- the specialized Trait …
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WorldTime.cpp
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2.2 KB
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94d5ac6
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12 years
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FrederikHeber |
FIX: As we use GSL internally, we are as of now required to use GPL v2 …
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WorldTime.hpp
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2.0 KB
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040a5c
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13 years
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FrederikHeber |
WorldTime is now Observable.
- this is required for the …
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