../
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unittests
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fbbcde
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13 years
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FrederikHeber |
FIX: TestRunner is now compiled based on AM_CONDITIONAL set by HAVE_ECUT.
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UIElements
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57a770
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13 years
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FrederikHeber |
Corrected verbosity levels of GLMoleculeObject..., GLWorldScene, and …
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Thermostats
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0aa122
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13 years
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FrederikHeber |
Updated all source files's copyright note to current year 2012.
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Tesselation
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0aa122
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13 years
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FrederikHeber |
Updated all source files's copyright note to current year 2012.
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Shapes
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0aa122
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13 years
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FrederikHeber |
Updated all source files's copyright note to current year 2012.
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RandomNumbers
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0aa122
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13 years
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FrederikHeber |
Updated all source files's copyright note to current year 2012.
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Parser
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0aa122
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13 years
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FrederikHeber |
Updated all source files's copyright note to current year 2012.
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LinkedCell
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fbbcde
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13 years
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FrederikHeber |
FIX: TestRunner is now compiled based on AM_CONDITIONAL set by HAVE_ECUT.
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Helpers
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0aa122
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13 years
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FrederikHeber |
Updated all source files's copyright note to current year 2012.
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Graph
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0aa122
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13 years
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FrederikHeber |
Updated all source files's copyright note to current year 2012.
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Fragmentation
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c9cafa
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13 years
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FrederikHeber |
Some warning fixes.
comparison signed/unsigned:
- …
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Element
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0aa122
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13 years
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FrederikHeber |
Updated all source files's copyright note to current year 2012.
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Dynamics
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0aa122
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13 years
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FrederikHeber |
Updated all source files's copyright note to current year 2012.
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documentation
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7afb77
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13 years
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FrederikHeber |
Added AtomsWithinDistanceOf descriptor.
- this is basically just a …
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Descriptors
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0aa122
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13 years
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FrederikHeber |
Updated all source files's copyright note to current year 2012.
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Bond
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0aa122
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13 years
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FrederikHeber |
Updated all source files's copyright note to current year 2012.
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Atom
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c9cafa
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13 years
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FrederikHeber |
Some warning fixes.
comparison signed/unsigned:
- …
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Analysis
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0aa122
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13 years
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FrederikHeber |
Updated all source files's copyright note to current year 2012.
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Actions
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0aa122
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13 years
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FrederikHeber |
Updated all source files's copyright note to current year 2012.
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WorldTime.hpp
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1.9 KB
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ce7fdc
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13 years
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FrederikHeber |
HUGE: All Action-related codes resides now in namespace MoleCuilder.
…
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WorldTime.cpp
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777 bytes
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0aa122
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13 years
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FrederikHeber |
Updated all source files's copyright note to current year 2012.
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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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World.hpp
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15.6 KB
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4834f4
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13 years
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FrederikHeber |
World now has a LinkedCell_Controller and function getLinkedCell().
- …
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World.cpp
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19.7 KB
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0aa122
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13 years
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FrederikHeber |
Updated all source files's copyright note to current year 2012.
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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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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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ReMapDBondFileFromXYZ.py
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5.9 KB
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f683fe
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16 years
|
neuen |
Parses a pdb and xyz file and decideds which atoms are in both and …
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MoleculeListClass.hpp
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1.6 KB
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02ce36
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13 years
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FrederikHeber |
We now require CodePatterns 1.2.0.
- this is due to the updated …
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moleculelist.cpp
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23.1 KB
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0aa122
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13 years
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FrederikHeber |
Updated all source files's copyright note to current year 2012.
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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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MoleculeLeafClass.cpp
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9.3 KB
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0aa122
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13 years
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FrederikHeber |
Updated all source files's copyright note to current year 2012.
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molecule_graph.cpp
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13.3 KB
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c9cafa
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13 years
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FrederikHeber |
Some warning fixes.
comparison signed/unsigned:
- …
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molecule_geometry.cpp
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17.5 KB
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0aa122
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13 years
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FrederikHeber |
Updated all source files's copyright note to current year 2012.
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molecule.hpp
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7.6 KB
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6bd7e0
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13 years
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FrederikHeber |
Renamed old LinkedCell class to LinkedCell_deprecated.
- this is …
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molecule.cpp
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40.4 KB
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0aa122
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13 years
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FrederikHeber |
Updated all source files's copyright note to current year 2012.
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Makefile.am
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12.5 KB
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7afb77
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13 years
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FrederikHeber |
Added AtomsWithinDistanceOf descriptor.
- this is basically just a …
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IdPool_impl.hpp
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3.9 KB
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b6f5bc
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13 years
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FrederikHeber |
FIX: Fixes to idpool implementation that did not initialize all its …
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IdPool.hpp
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2.5 KB
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3e4fb6
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13 years
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FrederikHeber |
Added template class IdPool used by World to manage defragmentable id …
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Formula.hpp
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4.1 KB
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e5c233
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13 years
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FrederikHeber |
FIX: replaced boost/exception.hpp by boost/exception/all.hpp.
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Formula.cpp
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14.9 KB
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0aa122
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13 years
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FrederikHeber |
Updated all source files's copyright note to current year 2012.
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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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config.cpp
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1.1 KB
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0aa122
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13 years
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FrederikHeber |
Updated all source files's copyright note to current year 2012.
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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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cleanUp.cpp
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4.5 KB
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c9c3c9
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13 years
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FrederikHeber |
MEMFIX: Forgot to purge AtomObserver instance.
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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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builder_init.cpp
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3.9 KB
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0aa122
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13 years
|
FrederikHeber |
Updated all source files's copyright note to current year 2012.
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builder.cpp
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747 bytes
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0aa122
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13 years
|
FrederikHeber |
Updated all source files's copyright note to current year 2012.
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Box.hpp
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3.9 KB
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99f4ee
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13 years
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FrederikHeber |
Class Box is now also an Observable.
- it has two channels to notify …
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Box.cpp
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10.1 KB
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0aa122
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13 years
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FrederikHeber |
Updated all source files's copyright note to current year 2012.
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