1 |
+ |
2004-04-27 11:26 tim |
2 |
+ |
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3 |
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* libmdtools/: Atom.cpp, Atom.hpp, DirectionalAtom.cpp, |
4 |
+ |
ForceFields.cpp, Molecule.cpp, SimState.cpp, SimState.hpp, |
5 |
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fSimulation.h, fortranWrapDefines.hpp: add center of mass of the |
6 |
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molecule and massRation into atom class |
7 |
+ |
|
8 |
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2004-04-26 16:16 mmeineke |
9 |
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10 |
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* libBASS/Globals.cpp: modified the defaults for the system init |
11 |
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time and system init state. |
12 |
+ |
|
13 |
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2004-04-26 09:29 gezelter |
14 |
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15 |
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* libmdtools/: Thermo.cpp, calc_charge_charge.F90: Fixed a bug in |
16 |
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calc_charge_charge.F90 |
17 |
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|
18 |
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2004-04-23 23:31 tim |
19 |
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|
20 |
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* ChangeLog, libmdtools/AtomVisitor.cpp, |
21 |
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libmdtools/calc_charge_charge.F90, libmdtools/do_Forces.F90: add |
22 |
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reaction field correction to charge-charge interaction |
23 |
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24 |
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2004-04-22 16:33 tim |
25 |
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26 |
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* libmdtools/: InitializeFromFile.cpp, SimInfo.cpp, SimInfo.hpp, |
3074 |
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libmdtools/mpiSimulation.hpp, libmdtools/mpiSimulation_module.F90, |
3075 |
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libmdtools/neighborLists.F90, libmdtools/randomSPRNG.cpp, |
3076 |
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libmdtools/randomSPRNG.hpp, libmdtools/simulation_module.F90, |
3077 |
< |
libmdtools/vector_class.F90, libmdtools/wrappers.F90: Initial |
3078 |
< |
revision |
3077 |
> |
libmdtools/vector_class.F90, libmdtools/wrappers.F90: New OOPSE |
3078 |
> |
Tree |
3079 |
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3080 |
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2003-03-21 12:42 mmeineke |
3081 |
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3132 |
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libmdtools/mpiSimulation.hpp, libmdtools/mpiSimulation_module.F90, |
3133 |
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libmdtools/neighborLists.F90, libmdtools/randomSPRNG.cpp, |
3134 |
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libmdtools/randomSPRNG.hpp, libmdtools/simulation_module.F90, |
3135 |
< |
libmdtools/vector_class.F90, libmdtools/wrappers.F90: New OOPSE |
3136 |
< |
Tree |
3135 |
> |
libmdtools/vector_class.F90, libmdtools/wrappers.F90: Initial |
3136 |
> |
revision |
3137 |
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