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2004-05-12 09:29 gezelter |
| 2 |
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|
| 3 |
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* libmdtools/SimInfo.cpp, libmdtools/SimSetup.cpp, |
| 4 |
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libmdtools/do_Forces.F90, libmdtools/notifyCutoffs.F90, |
| 5 |
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samples/water/ssd.bass: bug fixes for cutoffGroups |
| 6 |
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|
| 7 |
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2004-05-11 17:28 tim |
| 8 |
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|
| 9 |
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* utils/Vector3.hpp: adding generic Vector3 class |
| 10 |
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|
| 11 |
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2004-05-11 16:44 tim |
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|
| 13 |
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* libmdtools/Integrator.hpp: adding instantiation of |
| 14 |
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Integrator<BaseIntegrator> in order to make OOPSE compiled by icc8 |
| 15 |
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|
| 16 |
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2004-05-11 16:31 gezelter |
| 17 |
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|
| 18 |
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* libmdtools/: calc_LJ_FF.F90, calc_charge_charge.F90, |
| 19 |
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calc_dipole_dipole.F90, calc_gb.F90, calc_reaction_field.F90, |
| 20 |
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calc_sticky_pair.F90, do_Forces.F90, notifyCutoffs.F90: |
| 21 |
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Fortran-side changes for group-based cutoffs |
| 22 |
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|
| 23 |
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2004-05-11 16:20 tim |
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|
| 25 |
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* libmdtools/CutoffGroup.hpp: adding CutoffGroup.hpp |
| 26 |
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|
| 27 |
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2004-05-11 16:14 tim |
| 28 |
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|
| 29 |
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* libmdtools/: ForceFields.cpp, Make.dep, Molecule.cpp, |
| 30 |
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SimInfo.cpp: fix two bugs in siminfo which cause infinite loop; fix |
| 31 |
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anoter one in CutoffGroup which causes seg fault |
| 32 |
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|
| 33 |
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2004-05-11 15:33 tim |
| 34 |
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|
| 35 |
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* ChangeLog, libmdtools/ForceFields.cpp, libmdtools/Molecule.cpp, |
| 36 |
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libmdtools/Molecule.hpp, libmdtools/SimInfo.cpp, |
| 37 |
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libmdtools/SimInfo.hpp, libmdtools/SimSetup.cpp: adding cutoffGroup |
| 38 |
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into OOPSE |
| 39 |
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|
| 40 |
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2004-05-11 15:07 gezelter |
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|
| 42 |
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* libBASS/: BASS_parse.c, parse_tree.c: bugfix for cutoffGroup |
| 43 |
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|
| 44 |
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2004-05-11 11:00 gezelter |
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|
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* libmdtools/: Make.dep, SimInfo.cpp, SimInfo.hpp, SimSetup.cpp, |
