bugfix for fix_modify temp issue in fix_rigid_nh.cpp and fix_rigid_nh_small.cpp…
a9b7c62a0602
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Authored by Axel Kohlmeyer <akohlmey@gmail.com> on Jun 3 2016, 07:55.

Description

bugfix for fix_modify temp issue in fix_rigid_nh.cpp and fix_rigid_nh_small.cpp reported by reese jones.

also rename pflag/tflag to pcomputeflag/tcomputeflag consistently across
all nose-hoover fixes and document them in the header.
also plug some minor memory leaks and consistently intialize flags
and pointers.

Details

Committed

Axel Kohlmeyer <akohlmey@gmail.com>

Jun 3 2016, 07:55

Pushed

junge

Oct 6 2016, 16:49

Parents

rLAMMPS02aa4478dc13: Merge remote-tracking branch 'lammps-ro/master' into lammps-icms

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Tags

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Event Timeline

Axel Kohlmeyer <akohlmey@gmail.com> committed rLAMMPSa9b7c62a0602: bugfix for fix_modify temp issue in fix_rigid_nh.cpp and fix_rigid_nh_small.cpp… (authored by Axel Kohlmeyer <akohlmey@gmail.com>).Jun 3 2016, 07:55

Changes (41)

				Path
	M			src/ASPHERE/fix_nph_asphere.cpp
	M			src/ASPHERE/fix_npt_asphere.cpp
	M			src/ASPHERE/fix_nvt_asphere.cpp
	M			src/BODY/fix_nph_body.cpp
	M			src/BODY/fix_npt_body.cpp
	M			src/BODY/fix_nvt_body.cpp
	M			src/KOKKOS/fix_nph_kokkos.cpp
	M			src/KOKKOS/fix_npt_kokkos.cpp
	M			src/KOKKOS/fix_nvt_kokkos.cpp
	M			src/RIGID/fix_rigid_nh.cpp
	M			src/RIGID/fix_rigid_nh.h
	M			src/RIGID/fix_rigid_nh_small.cpp
	M			src/RIGID/fix_rigid_nh_small.h
	M			src/SHOCK/fix_nphug.cpp
	M			src/USER-EFF/fix_nph_eff.cpp
	M			src/USER-EFF/fix_npt_eff.cpp
	M			src/USER-EFF/fix_nvt_eff.cpp
	M			src/USER-EFF/fix_nvt_sllod_eff.cpp
	M			src/USER-INTEL/fix_npt_intel.cpp
	M			src/USER-INTEL/fix_nvt_intel.cpp
	M			src/USER-INTEL/fix_nvt_sllod_intel.cpp
	M			src/USER-OMP/fix_nph_asphere_omp.cpp
	M			src/USER-OMP/fix_nph_omp.cpp
	M			src/USER-OMP/fix_nph_sphere_omp.cpp
	M			src/USER-OMP/fix_nphug_omp.cpp
	M			src/USER-OMP/fix_npt_asphere_omp.cpp
	M			src/USER-OMP/fix_npt_omp.cpp
	M			src/USER-OMP/fix_npt_sphere_omp.cpp
	M			src/USER-OMP/fix_nvt_asphere_omp.cpp
	M			src/USER-OMP/fix_nvt_omp.cpp
	M			src/USER-OMP/fix_nvt_sllod_omp.cpp
	M			src/USER-OMP/fix_nvt_sphere_omp.cpp
	M			src/fix_nh.cpp
	M			src/fix_nh.h
	M			src/fix_nph.cpp
	M			src/fix_nph_sphere.cpp
	M			src/fix_npt.cpp
	M			src/fix_npt_sphere.cpp
	M			src/fix_nvt.cpp
	M			src/fix_nvt_sllod.cpp
	M			src/fix_nvt_sphere.cpp