box size
f6a819580c6b
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Authored by Steve Plimpton <sjplimp@sandia.gov> on Jan 6 2017, 17:57.

Description

pair TIP4P bug fix for cutoffs >> box size

Committed

Steve Plimpton <sjplimp@sandia.gov>

Jan 6 2017, 17:57

Pushed

junge

Oct 19 2017, 09:53

Parents

rLAMMPS62dea1bb6345: 21Dec16 patch

Branches

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Steve Plimpton <sjplimp@sandia.gov> committed rLAMMPSf6a819580c6b: pair TIP4P bug fix for cutoffs >> box size (authored by Steve Plimpton <sjplimp@sandia.gov>).Jan 6 2017, 17:57

				Path
	M			src/KOKKOS/modify_kokkos.cpp
	M			src/KOKKOS/modify_kokkos.h
	M			src/KSPACE/pair_lj_cut_tip4p_long.cpp
	M			src/KSPACE/pair_lj_long_tip4p_long.cpp
	M			src/KSPACE/pair_tip4p_long.cpp
	M			src/KSPACE/pppm_disp_tip4p.cpp
	M			src/KSPACE/pppm_tip4p.cpp
	M			src/MOLECULE/fix_cmap.cpp
	M			src/MOLECULE/fix_cmap.h
	M			src/MOLECULE/pair_lj_cut_tip4p_cut.cpp
	M			src/MOLECULE/pair_tip4p_cut.cpp
	M			src/OPT/pair_lj_cut_tip4p_long_opt.cpp
	M			src/QEQ/fix_qeq.cpp
	M			src/QEQ/fix_qeq.h
	M			src/REPLICA/compute_event_displace.cpp
	M			src/REPLICA/fix_neb.cpp
	M			src/USER-ATC/fix_atc.cpp
	M			src/USER-ATC/fix_atc.h
	M			src/USER-DPD/fix_shardlow.cpp
	M			src/USER-DPD/fix_shardlow.h
	M			src/USER-FEP/pair_lj_cut_tip4p_long_soft.cpp
	M			src/USER-FEP/pair_tip4p_long_soft.cpp
	M			src/USER-INTEL/fix_intel.cpp
	M			src/USER-INTEL/fix_intel.h
	M			src/USER-OMP/pair_lj_cut_tip4p_cut_omp.cpp
	M			src/USER-OMP/pair_lj_cut_tip4p_long_omp.cpp
	M			src/USER-OMP/pair_lj_cut_tip4p_long_soft_omp.cpp
	M			src/USER-OMP/pair_lj_long_tip4p_long_omp.cpp
	M			src/USER-OMP/pair_tip4p_cut_omp.cpp
	M			src/USER-OMP/pair_tip4p_long_omp.cpp
	M			src/USER-OMP/pair_tip4p_long_soft_omp.cpp
	M			src/USER-OMP/pppm_disp_tip4p_omp.cpp
	M			src/USER-OMP/pppm_tip4p_omp.cpp
	M			src/USER-REAXC/fix_qeq_reax.cpp
	M			src/USER-REAXC/fix_qeq_reax.h
	M			src/domain.cpp
	M			src/finish.cpp
	M			src/fix.h
	M			src/fix_restrain.cpp
	M			src/min.cpp
	M			src/modify.cpp
	M			src/modify.h
	M			src/respa.cpp
	M			src/run.cpp
	M			src/verlet.cpp