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2003-08-27 14:23 tim |
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* libmdtools/: Integrator.cpp, SimSetup.cpp, ZConstraint.cpp: fix |
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bug of MPI_Allreduce in ZConstraint, the MPITYPE is set to |
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MPI_DOUBLE, however, the corret type is MPI_INT. Therefore, when we |
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turn on the optimization flag, it causes a seg fault |
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2003-08-27 11:25 gezelter |
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* libmdtools/: calc_dipole_dipole.F90, calc_eam.F90, calc_gb.F90, |
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calc_reaction_field.F90, calc_sticky_pair.F90: More fixes for |
| 12 |
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stress tensor parallel bug. |
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2003-08-27 11:16 tim |
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|
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* ChangeLog, libmdtools/DUFF.cpp, |
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libmdtools/calc_dipole_dipole.F90, libmdtools/calc_sticky_pair.F90: |
| 18 |
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fix bug in calc_dipole_dipole.F90 and calc_stikcy_pair.F90 |
| 19 |
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molMembershipList use global index instead of local index |
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2003-08-26 15:37 tim |
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* libmdtools/: Integrator.cpp, ZConstraint.cpp, do_Forces.F90, |
