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../
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Views
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da09909
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16 years
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Till Crueger |
Improved documentation for menu framework.
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unittests
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e960b1
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16 years
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FrederikHeber |
BUGFIX: unnecessary include in header, file not closed in definition …
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test
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543ce4
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16 years
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FrederikHeber |
Huge change from ofstream * (const) out --> Log().
- first shift was …
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Menu
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da09909
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16 years
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Till Crueger |
Improved documentation for menu framework.
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Actions
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425da9
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16 years
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Till Crueger |
Added mechanism that allow to store and later execute sequences of Actions.
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verbose.hpp
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1.4 KB
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548cbf
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16 years
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FrederikHeber |
BUGFIX: Output is again indented, errorLogger prefixes according to …
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verbose.cpp
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2.1 KB
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543ce4
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16 years
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FrederikHeber |
Huge change from ofstream * (const) out --> Log().
- first shift was …
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vector.hpp
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3.9 KB
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543ce4
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16 years
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FrederikHeber |
Huge change from ofstream * (const) out --> Log().
- first shift was …
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vector.cpp
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38.0 KB
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418117a
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16 years
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FrederikHeber |
Verbosity corrected for ERROR and WARNING
- present ERROR and WARNING …
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valence.db
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1.5 KB
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e08f45
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17 years
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FrederikHeber |
Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull
Conflicts:
…
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tesselationhelpers.hpp
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3.5 KB
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543ce4
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16 years
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FrederikHeber |
Huge change from ofstream * (const) out --> Log().
- first shift was …
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tesselationhelpers.cpp
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36.2 KB
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7d1ad9
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16 years
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FrederikHeber |
bugfix to errorLogger and some error verbosity changes.
- BUGFIX: …
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tesselation.hpp
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11.3 KB
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09d3b8
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16 years
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FrederikHeber |
Attempt to fix tesselation for case 1_2-dimethylbenzene.
- The issue …
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tesselation.cpp
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164.8 KB
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3d4969
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16 years
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FrederikHeber |
Fixing ticket #18.
- each eLog() << Verbose(0) is now followed by …
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stackclass.hpp
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8.0 KB
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418117a
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16 years
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FrederikHeber |
Verbosity corrected for ERROR and WARNING
- present ERROR and WARNING …
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ReMapDBondFileFromXYZ.py
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5.9 KB
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3e20fe
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17 years
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neuen |
Parses a pdb and xyz file and decideds which atoms are in both and …
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periodentafel.hpp
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1.4 KB
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069034
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16 years
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FrederikHeber |
class config, ConfigFileBuffer, periodentafel and Vector are …
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periodentafel.cpp
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9.9 KB
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418117a
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16 years
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FrederikHeber |
Verbosity corrected for ERROR and WARNING
- present ERROR and WARNING …
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parser.hpp
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4.8 KB
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17b3a5c
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16 years
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FrederikHeber |
forward declarations used to untangle interdependet classes.
- …
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parser.cpp
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47.0 KB
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3d4969
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16 years
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FrederikHeber |
Fixing ticket #18.
- each eLog() << Verbose(0) is now followed by …
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orbitals.db
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442 bytes
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e08f45
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17 years
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FrederikHeber |
Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull
Conflicts:
…
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moleculelist.cpp
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42.8 KB
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2309fa
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16 years
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FrederikHeber |
Added Title to DisplayMenuItems. Signed-off-by: Tillmann Crueger …
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molecule_template.hpp
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16.3 KB
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543ce4
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16 years
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FrederikHeber |
Huge change from ofstream * (const) out --> Log().
- first shift was …
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molecule_pointcloud.cpp
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1.8 KB
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543ce4
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16 years
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FrederikHeber |
Huge change from ofstream * (const) out --> Log().
- first shift was …
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molecule_graph.cpp
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59.7 KB
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3d4969
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16 years
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FrederikHeber |
Fixing ticket #18.
- each eLog() << Verbose(0) is now followed by …
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molecule_geometry.cpp
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17.6 KB
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4ef101
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16 years
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FrederikHeber |
LEAKFIX: ReturnFullMatrixForSymmetric() and InverseMatrix() have …
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molecule_fragmentation.cpp
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76.3 KB
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3d4969
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16 years
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FrederikHeber |
Fixing ticket #18.
- each eLog() << Verbose(0) is now followed by …
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molecule_dynamics.cpp
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34.6 KB
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3d4969
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16 years
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FrederikHeber |
Fixing ticket #18.
- each eLog() << Verbose(0) is now followed by …
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molecule.hpp
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20.1 KB
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f00f02
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16 years
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FrederikHeber |
Added method to flip ActiveFlag for single molecules. Signed-off-by: …
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molecule.cpp
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43.9 KB
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f00f02
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16 years
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FrederikHeber |
Added method to flip ActiveFlag for single molecules. Signed-off-by: …
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menu.hpp
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1.2 KB
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212c827
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16 years
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FrederikHeber |
Finished transformation of main menu. Signed-off-by: Tillmann Crueger …
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menu.cpp
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55.9 KB
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212c827
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16 years
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FrederikHeber |
Finished transformation of main menu. Signed-off-by: Tillmann Crueger …
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memoryusageobserver.hpp
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1.3 KB
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17b3a5c
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16 years
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FrederikHeber |
forward declarations used to untangle interdependet classes.
- …
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memoryusageobserver.cpp
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2.9 KB
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418117a
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16 years
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FrederikHeber |
Verbosity corrected for ERROR and WARNING
- present ERROR and WARNING …
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memoryallocator.hpp
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4.0 KB
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543ce4
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16 years
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FrederikHeber |
Huge change from ofstream * (const) out --> Log().
- first shift was …
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Makefile.am
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2.9 KB
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425da9
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16 years
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Till Crueger |
Added mechanism that allow to store and later execute sequences of Actions.
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logger.hpp
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756 bytes
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96d8dc
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16 years
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Saskia Metzler |
Ticket 43 Create a logging class
The verbosity level can now be …
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logger.cpp
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1.7 KB
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548cbf
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16 years
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FrederikHeber |
BUGFIX: Output is again indented, errorLogger prefixes according to …
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log.hpp
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272 bytes
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543ce4
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16 years
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FrederikHeber |
Huge change from ofstream * (const) out --> Log().
- first shift was …
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log.cpp
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689 bytes
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543ce4
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16 years
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FrederikHeber |
Huge change from ofstream * (const) out --> Log().
- first shift was …
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lists.hpp
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3.7 KB
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872b51
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16 years
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FrederikHeber |
Huge refactoring: molecule::ListOfBondsPerAtom and …
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linkedcell.hpp
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2.1 KB
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a9b2a0a
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16 years
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FrederikHeber |
Huge refactoring to make const what is const (ticket #38), continued.
…
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linkedcell.cpp
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8.9 KB
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418117a
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16 years
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FrederikHeber |
Verbosity corrected for ERROR and WARNING
- present ERROR and WARNING …
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leastsquaremin.hpp
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944 bytes
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a9b2a0a
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16 years
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FrederikHeber |
Huge refactoring to make const what is const (ticket #38), continued.
…
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leastsquaremin.cpp
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684 bytes
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a9b2a0a
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16 years
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FrederikHeber |
Huge refactoring to make const what is const (ticket #38), continued.
…
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joiner.cpp
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11.4 KB
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543ce4
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16 years
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FrederikHeber |
Huge change from ofstream * (const) out --> Log().
- first shift was …
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helpers.hpp
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4.7 KB
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3d4969
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16 years
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FrederikHeber |
Fixing ticket #18.
- each eLog() << Verbose(0) is now followed by …
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helpers.cpp
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7.6 KB
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543ce4
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16 years
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FrederikHeber |
Huge change from ofstream * (const) out --> Log().
- first shift was …
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Hbonddistance.db
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204 bytes
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e08f45
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17 years
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FrederikHeber |
Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull
Conflicts:
…
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Hbondangle.db
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180 bytes
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e08f45
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17 years
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FrederikHeber |
Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull
Conflicts:
…
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graph.hpp
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2.9 KB
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543ce4
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16 years
|
FrederikHeber |
Huge change from ofstream * (const) out --> Log().
- first shift was …
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graph.cpp
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3.7 KB
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543ce4
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16 years
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FrederikHeber |
Huge change from ofstream * (const) out --> Log().
- first shift was …
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errorlogger.hpp
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811 bytes
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543ce4
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16 years
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FrederikHeber |
Huge change from ofstream * (const) out --> Log().
- first shift was …
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errorlogger.cpp
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2.3 KB
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7d1ad9
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16 years
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FrederikHeber |
bugfix to errorLogger and some error verbosity changes.
- BUGFIX: …
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ellipsoid.hpp
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1.2 KB
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543ce4
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16 years
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FrederikHeber |
Huge change from ofstream * (const) out --> Log().
- first shift was …
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ellipsoid.cpp
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16.6 KB
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418117a
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16 years
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FrederikHeber |
Verbosity corrected for ERROR and WARNING
- present ERROR and WARNING …
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elements.db
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4.4 KB
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e08f45
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17 years
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FrederikHeber |
Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull
Conflicts:
…
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element.hpp
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1.9 KB
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543ce4
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16 years
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FrederikHeber |
Huge change from ofstream * (const) out --> Log().
- first shift was …
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element.cpp
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1.5 KB
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543ce4
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16 years
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FrederikHeber |
Huge change from ofstream * (const) out --> Log().
- first shift was …
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defs.hpp
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5.0 KB
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7cb300
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16 years
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FrederikHeber |
Changed formating of menus and added protection to keep MenuItems from …
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datacreator.hpp
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5.0 KB
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17b3a5c
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16 years
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FrederikHeber |
forward declarations used to untangle interdependet classes.
- …
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datacreator.cpp
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35.6 KB
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543ce4
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16 years
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FrederikHeber |
Huge change from ofstream * (const) out --> Log().
- first shift was …
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config.hpp
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4.4 KB
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486aa5
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16 years
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FrederikHeber |
Added config::SavePDB() and config::SaveMPQC().
- note: for CODICE we …
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config.cpp
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99.7 KB
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7d1ad9
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16 years
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FrederikHeber |
bugfix to errorLogger and some error verbosity changes.
- BUGFIX: …
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builder.cpp
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48.2 KB
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d20ed5
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16 years
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FrederikHeber |
Added basic menu and action framework
- Added action base class
- …
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boundary.hpp
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2.7 KB
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09d3b8
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16 years
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FrederikHeber |
Attempt to fix tesselation for case 1_2-dimethylbenzene.
- The issue …
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boundary.cpp
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48.8 KB
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3d4969
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16 years
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FrederikHeber |
Fixing ticket #18.
- each eLog() << Verbose(0) is now followed by …
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bondgraph.hpp
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1.4 KB
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543ce4
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16 years
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FrederikHeber |
Huge change from ofstream * (const) out --> Log().
- first shift was …
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bondgraph.cpp
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5.5 KB
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418117a
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16 years
|
FrederikHeber |
Verbosity corrected for ERROR and WARNING
- present ERROR and WARNING …
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bond.hpp
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2.0 KB
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1fcedd
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16 years
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FrederikHeber |
New function bond::GetDistance...()
- bond::GetDistance() and …
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bond.cpp
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3.6 KB
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418117a
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16 years
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FrederikHeber |
Verbosity corrected for ERROR and WARNING
- present ERROR and WARNING …
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atom_trajectoryparticleinfo.hpp
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912 bytes
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2e2a70
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16 years
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FrederikHeber |
Refactored atom.cpp into multiple files.
After the class atom was …
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atom_trajectoryparticleinfo.cpp
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441 bytes
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2e2a70
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16 years
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FrederikHeber |
Refactored atom.cpp into multiple files.
After the class atom was …
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atom_trajectoryparticle.hpp
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2.1 KB
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94d0ad
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16 years
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FrederikHeber |
Begun with ticket #38 (make const what is const).
- basically all …
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atom_trajectoryparticle.cpp
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9.7 KB
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418117a
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16 years
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FrederikHeber |
Verbosity corrected for ERROR and WARNING
- present ERROR and WARNING …
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atom_particleinfo.hpp
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878 bytes
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94d0ad
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16 years
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FrederikHeber |
Begun with ticket #38 (make const what is const).
- basically all …
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atom_particleinfo.cpp
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576 bytes
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94d0ad
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16 years
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FrederikHeber |
Begun with ticket #38 (make const what is const).
- basically all …
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atom_graphnodeinfo.hpp
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1.4 KB
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2e2a70
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16 years
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FrederikHeber |
Refactored atom.cpp into multiple files.
After the class atom was …
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atom_graphnodeinfo.cpp
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477 bytes
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2e2a70
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16 years
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FrederikHeber |
Refactored atom.cpp into multiple files.
After the class atom was …
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atom_graphnode.hpp
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846 bytes
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543ce4
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16 years
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FrederikHeber |
Huge change from ofstream * (const) out --> Log().
- first shift was …
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atom_graphnode.cpp
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1.0 KB
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418117a
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16 years
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FrederikHeber |
Verbosity corrected for ERROR and WARNING
- present ERROR and WARNING …
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atom_bondedparticleinfo.hpp
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1012 bytes
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2e2a70
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16 years
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FrederikHeber |
Refactored atom.cpp into multiple files.
After the class atom was …
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atom_bondedparticleinfo.cpp
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360 bytes
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2e2a70
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16 years
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FrederikHeber |
Refactored atom.cpp into multiple files.
After the class atom was …
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atom_bondedparticle.hpp
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1.2 KB
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543ce4
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16 years
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FrederikHeber |
Huge change from ofstream * (const) out --> Log().
- first shift was …
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atom_bondedparticle.cpp
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4.9 KB
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418117a
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16 years
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FrederikHeber |
Verbosity corrected for ERROR and WARNING
- present ERROR and WARNING …
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atom_atominfo.hpp
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940 bytes
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2e2a70
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16 years
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FrederikHeber |
Refactored atom.cpp into multiple files.
After the class atom was …
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atom_atominfo.cpp
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257 bytes
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2e2a70
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16 years
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FrederikHeber |
Refactored atom.cpp into multiple files.
After the class atom was …
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atom.hpp
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2.2 KB
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543ce4
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16 years
|
FrederikHeber |
Huge change from ofstream * (const) out --> Log().
- first shift was …
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atom.cpp
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8.6 KB
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543ce4
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16 years
|
FrederikHeber |
Huge change from ofstream * (const) out --> Log().
- first shift was …
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analyzer.cpp
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33.7 KB
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418117a
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16 years
|
FrederikHeber |
Verbosity corrected for ERROR and WARNING
- present ERROR and WARNING …
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analysis_correlation.hpp
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4.8 KB
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3d4969
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16 years
|
FrederikHeber |
Fixing ticket #18.
- each eLog() << Verbose(0) is now followed by …
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analysis_correlation.cpp
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18.0 KB
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4ef101
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16 years
|
FrederikHeber |
LEAKFIX: ReturnFullMatrixForSymmetric() and InverseMatrix() have …
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analysis_bonds.hpp
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820 bytes
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e462b3
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16 years
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FrederikHeber |
Two new bond analysis functions.
- GetMaxMinMeanBondCount() - …
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analysis_bonds.cpp
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2.4 KB
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e462b3
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16 years
|
FrederikHeber |
Two new bond analysis functions.
- GetMaxMinMeanBondCount() - …
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