| 1 |
+ |
2004-06-04 11:23 gezelter |
| 2 |
+ |
|
| 3 |
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* forceFields/charmm27.vdw: Moved to SHAPES |
| 4 |
+ |
|
| 5 |
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2004-06-04 11:23 gezelter |
| 6 |
+ |
|
| 7 |
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* forceFields/: LJ.vdw, amber99.vdw, gaff.vdw, oplsaal.vdw: [no log |
| 8 |
+ |
message] |
| 9 |
+ |
|
| 10 |
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2004-06-04 09:59 gezelter |
| 11 |
+ |
|
| 12 |
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* libmdtools/: notifyCutoffs.F90, status_module.F90, wrappers.F90: |
| 13 |
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More work on Fortran side of error handler |
| 14 |
+ |
|
| 15 |
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2004-06-04 09:59 gezelter |
| 16 |
+ |
|
| 17 |
+ |
* configure, ac-tools/aclocal.m4: fixed a typo in autoconf script |
| 18 |
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|
| 19 |
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2004-06-04 09:35 gezelter |
| 20 |
+ |
|
| 21 |
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* libmdtools/: Makefile.in, fInfo.c, status_module.F90: Unifying |
| 22 |
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the error handlers |
| 23 |
+ |
|
| 24 |
+ |
2004-06-04 09:17 gezelter |
| 25 |
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|
| 26 |
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* libBASS/: MemberStamp.cpp, MemberStamp.hpp: Not used anymore |
| 27 |
+ |
|
| 28 |
+ |
2004-06-04 09:11 gezelter |
| 29 |
+ |
|
| 30 |
+ |
* libBASS/: config.h.in, fError.c: forgot to add these |
| 31 |
+ |
|
| 32 |
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2004-06-03 22:15 tim |
| 33 |
+ |
|
| 34 |
+ |
* ChangeLog, libBASS/MoleculeStamp.cpp, libBASS/MoleculeStamp.hpp, |
| 35 |
+ |
libmdtools/CallbackFunctor.cpp, libmdtools/ConstraintAlgorithm.cpp, |
| 36 |
+ |
libmdtools/ConstraintManager.cpp, libmdtools/GenericData.cpp, |
| 37 |
+ |
libmdtools/GenericData.hpp, libmdtools/Integrator.cpp, |
| 38 |
+ |
libmdtools/Integrator.hpp, libmdtools/Make.dep, |
| 39 |
+ |
libmdtools/Makefile.in, libmdtools/Molecule.cpp, |
| 40 |
+ |
libmdtools/Molecule.hpp, libmdtools/NPT.cpp, libmdtools/NVT.cpp, |
| 41 |
+ |
libmdtools/OOPSEMinimizer.cpp, libmdtools/OOPSEMinimizer.hpp, |
| 42 |
+ |
libmdtools/RigidBody.cpp, libmdtools/RigidBody.hpp, |
| 43 |
+ |
libmdtools/SimInfo.cpp, libmdtools/SimInfo.hpp, |
| 44 |
+ |
libmdtools/SimSetup.cpp, libmdtools/StuntDouble.cpp, |
| 45 |
+ |
libmdtools/StuntDouble.hpp, utils/Vector3.hpp: new rattle algorithm |
| 46 |
+ |
is working |
| 47 |
+ |
|
| 48 |
|
2004-06-03 21:38 gezelter |
| 49 |
|
|
| 50 |
|
* configure, ac-tools/aclocal.m4, ac-tools/configure.in, |
| 3581 |
|
libmdtools/mpiSimulation.hpp, libmdtools/mpiSimulation_module.F90, |
| 3582 |
|
libmdtools/neighborLists.F90, libmdtools/randomSPRNG.cpp, |
| 3583 |
|
libmdtools/randomSPRNG.hpp, libmdtools/simulation_module.F90, |
| 3584 |
< |
libmdtools/vector_class.F90, libmdtools/wrappers.F90: New OOPSE |
| 3585 |
< |
Tree |
| 3584 |
> |
libmdtools/vector_class.F90, libmdtools/wrappers.F90: Initial |
| 3585 |
> |
revision |
| 3586 |
|
|
| 3587 |
|
2003-03-21 12:42 mmeineke |
| 3588 |
|
|
| 3639 |
|
libmdtools/mpiSimulation.hpp, libmdtools/mpiSimulation_module.F90, |
| 3640 |
|
libmdtools/neighborLists.F90, libmdtools/randomSPRNG.cpp, |
| 3641 |
|
libmdtools/randomSPRNG.hpp, libmdtools/simulation_module.F90, |
| 3642 |
< |
libmdtools/vector_class.F90, libmdtools/wrappers.F90: Initial |
| 3643 |
< |
revision |
| 3642 |
> |
libmdtools/vector_class.F90, libmdtools/wrappers.F90: New OOPSE |
| 3643 |
> |
Tree |
| 3644 |
|
|
