| 1 |
+ |
2004-04-28 21:11 tim |
| 2 |
+ |
|
| 3 |
+ |
* libmdtools/: ForceFields.cpp, fortranWrapDefines.hpp: fix an |
| 4 |
+ |
unmatched c/fortran interface |
| 5 |
+ |
|
| 6 |
+ |
2004-04-28 18:09 tim |
| 7 |
+ |
|
| 8 |
+ |
* ChangeLog, libmdtools/Integrator.hpp, libmdtools/ZConstraint.cpp: |
| 9 |
+ |
keep the previous position of cantilever in SMD |
| 10 |
+ |
|
| 11 |
+ |
2004-04-28 17:34 tim |
| 12 |
+ |
|
| 13 |
+ |
* ChangeLog, libmdtools/Molecule.cpp, libmdtools/Molecule.hpp, |
| 14 |
+ |
libmdtools/OtherVisitor.cpp, libmdtools/ZconsVisitor.cpp: fix a bug |
| 15 |
+ |
in Molecule.cpp which initialize massRatio before creat the array. |
| 16 |
+ |
fix two bugs in ZconsVisitor |
| 17 |
+ |
|
| 18 |
+ |
2004-04-28 17:06 gezelter |
| 19 |
+ |
|
| 20 |
+ |
* libmdtools/: MatVec3.h, SimInfo.cpp, SimInfo.hpp, SimSetup.cpp: |
| 21 |
+ |
Adding molecular cutoffs |
| 22 |
+ |
|
| 23 |
+ |
2004-04-28 16:39 gezelter |
| 24 |
+ |
|
| 25 |
+ |
* libmdtools/: calc_charge_charge.F90, do_Forces.F90, |
| 26 |
+ |
fSimulation.h, force_globals.F90, simulation_module.F90: work on |
| 27 |
+ |
molecular cutoffs |
| 28 |
+ |
|
| 29 |
+ |
2004-04-28 16:39 gezelter |
| 30 |
+ |
|
| 31 |
+ |
* libBASS/: Globals.cpp, Globals.hpp: useMolecularCutoffs added to |
| 32 |
+ |
Globals |
| 33 |
+ |
|
| 34 |
|
2004-04-27 11:26 tim |
| 35 |
|
|
| 36 |
|
* libmdtools/: Atom.cpp, Atom.hpp, DirectionalAtom.cpp, |
| 3107 |
|
libmdtools/mpiSimulation.hpp, libmdtools/mpiSimulation_module.F90, |
| 3108 |
|
libmdtools/neighborLists.F90, libmdtools/randomSPRNG.cpp, |
| 3109 |
|
libmdtools/randomSPRNG.hpp, libmdtools/simulation_module.F90, |
| 3110 |
< |
libmdtools/vector_class.F90, libmdtools/wrappers.F90: New OOPSE |
| 3111 |
< |
Tree |
| 3110 |
> |
libmdtools/vector_class.F90, libmdtools/wrappers.F90: Initial |
| 3111 |
> |
revision |
| 3112 |
|
|
| 3113 |
|
2003-03-21 12:42 mmeineke |
| 3114 |
|
|
| 3165 |
|
libmdtools/mpiSimulation.hpp, libmdtools/mpiSimulation_module.F90, |
| 3166 |
|
libmdtools/neighborLists.F90, libmdtools/randomSPRNG.cpp, |
| 3167 |
|
libmdtools/randomSPRNG.hpp, libmdtools/simulation_module.F90, |
| 3168 |
< |
libmdtools/vector_class.F90, libmdtools/wrappers.F90: Initial |
| 3169 |
< |
revision |
| 3168 |
> |
libmdtools/vector_class.F90, libmdtools/wrappers.F90: New OOPSE |
| 3169 |
> |
Tree |
| 3170 |
|
|
