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2004-05-11 11:00 gezelter |
2 |
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|
3 |
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* libmdtools/: Make.dep, SimInfo.cpp, SimInfo.hpp, SimSetup.cpp, |
4 |
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fortranWrapDefines.hpp, notifyCutoffs.F90: Fixes to libmdtools to |
5 |
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use the simplified cutoff stuff in the BASS library |
6 |
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|
7 |
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2004-05-10 23:21 gezelter |
8 |
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|
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* libBASS/: BASS_interface.cpp, BASS_interface.h, BASSyacc.y, |
10 |
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CutoffGroupStamp.cpp, CutoffGroupStamp.hpp, Globals.cpp, |
11 |
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Globals.hpp, MakeStamps.cpp, MakeStamps.hpp, Makefile.in, |
12 |
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MoleculeStamp.cpp, MoleculeStamp.hpp, interface.c, make_nodes.c, |
13 |
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make_nodes.h, mpiBASS.c, mpiBASS.h, node_list.h, parse_interface.h, |
14 |
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parse_tree.c: BASS changes for adding CutoffGroups to molecules. |
15 |
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Also restructured the plethora of cutoff radii into one |
16 |
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cutoffRadius and one switchingRadius. Also removed the |
17 |
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useMolecularCutoffs keyword |
18 |
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|
19 |
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2004-05-10 15:28 tim |
20 |
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|
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* ChangeLog, libmdtools/DumpWriter.cpp, src/Makefile.in: optimize |
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DumpWriter |
23 |
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|
24 |
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2004-05-07 16:36 gezelter |
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26 |
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* libmdtools/: fSwitchingFunction.h, switch_module.F90: New module |