| 1 |
+ |
2004-05-27 10:31 tim |
| 2 |
+ |
|
| 3 |
+ |
* libmdtools/SimInfo.cpp: groupList new bases on global index of |
| 4 |
+ |
atoms |
| 5 |
+ |
|
| 6 |
+ |
2004-05-27 10:21 gezelter |
| 7 |
+ |
|
| 8 |
+ |
* src/: oopse.cpp, oose.cpp: Modified the nifty banner |
| 9 |
+ |
|
| 10 |
+ |
2004-05-27 10:21 gezelter |
| 11 |
+ |
|
| 12 |
+ |
* libmdtools/: Make.dep, do_Forces.F90, simulation_module.F90: |
| 13 |
+ |
Fixed off-by-one error in groupStartRow and groupStartCol |
| 14 |
+ |
|
| 15 |
+ |
2004-05-26 19:48 tim |
| 16 |
+ |
|
| 17 |
+ |
* ChangeLog, libmdtools/DumpReader.cpp, libmdtools/DumpWriter.cpp, |
| 18 |
+ |
libmdtools/InitializeFromFile.cpp, libmdtools/Integrator.hpp, |
| 19 |
+ |
libmdtools/SimInfo.cpp, libmdtools/SimSetup.cpp, |
| 20 |
+ |
libmdtools/ZConsWriter.cpp, libmdtools/calc_LJ_FF.F90, |
| 21 |
+ |
libmdtools/calc_charge_charge.F90, |
| 22 |
+ |
libmdtools/calc_dipole_dipole.F90, libmdtools/calc_eam.F90, |
| 23 |
+ |
libmdtools/calc_gb.F90, libmdtools/calc_reaction_field.F90, |
| 24 |
+ |
libmdtools/calc_sticky_pair.F90, libmdtools/do_Forces.F90, |
| 25 |
+ |
libmdtools/force_globals.F90, libmdtools/mdProfile.cpp, |
| 26 |
+ |
libmdtools/mpiComponentPlan.h, libmdtools/mpiSimulation.cpp, |
| 27 |
+ |
libmdtools/mpiSimulation.hpp, libmdtools/mpiSimulation_module.F90, |
| 28 |
+ |
libmdtools/neighborLists.F90, libmdtools/randomSPRNG.cpp, |
| 29 |
+ |
libmdtools/simulation_module.F90: in the progress of fixing MPI |
| 30 |
+ |
version of cutoff group |
| 31 |
+ |
|
| 32 |
|
2004-05-26 11:41 gezelter |
| 33 |
|
|
| 34 |
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* libmdtools/do_Forces.F90: Compacted all of the 8 copies of the |
