Merge pull request #199 from akohlmey/small-changes
54fc194e5b33
Actions

Authored by sjplimp <sjplimp@sandia.gov> on Oct 6 2016, 23:49.

Description

Merge pull request #199 from akohlmey/small-changes

Collected small changes and bugfixes

Committed

GitHub <noreply@github.com>

Oct 6 2016, 23:49

Pushed

junge

Oct 19 2017, 09:53

Parents

Branches

Unknown

Tags

Unknown

Commit	Author	Details	Committed
19984c9bd17c	Axel Kohlmeyer	Revert "bugfix for AngleAngle term in CLASS2 impropers by Ivan A. Strelnikov…	Oct 6 2016
f92618a33b74	Axel Kohlmeyer	Revert "bugfix for virial tally for improper style umbrella from Steven…	Oct 6 2016
60a031ebacef	Axel Kohlmeyer	Merge branch 'USER-DPD_pair_exp6_rx_mathfix' of https://github.	Oct 6 2016
27e76a70b9d7	Axel Kohlmeyer	Merge branch 'USER-DPD_hybrid_atom_bugfix' of https://github.	Oct 6 2016
e1e9a5c12604	Tim Mattox	USER-DPD: math corrections in pair_exp6_rx.cpp (by Jim Larentzos)	Oct 6 2016
d31121b18cde	Tim Mattox	USER-DPD: bugfix in unpack_comm_hybrid(); now works with hybrid atom style	Oct 6 2016
0853cdbe6f69	Axel Kohlmeyer	update reference data files for updated/corrected clayff parameters	Oct 6 2016
83bcdb6a5053	Axel Kohlmeyer	bugfix for AngleAngle term in CLASS2 impropers by Ivan A. Strelnikov, ICP RAS	Oct 6 2016
22ce6718048b	Axel Kohlmeyer	improved whitespace handling in msi2lmp for force fields and topologies	Oct 6 2016
4921dc18a058	Axel Kohlmeyer	bugfix for virial tally for improper style umbrella from Steven Vandenbrande (U…	Oct 6 2016
d133167bf676	Axel Kohlmeyer	Merge branch 'master' of https://github.com/albapa/lammps into small-changes	Oct 6 2016
8ea063378eac	A Bartok-Partay	add NETCDF libs (as defined in QUIP) to the linking line if QUIP was built with…	Oct 6 2016
fd16118cbb22	A Bartok-Partay	removed dump_modify command	Oct 6 2016
f9f955d5b5d0	Axel Kohlmeyer	update include statement format	Oct 6 2016

				Path
	M			examples/USER/quip/in.gap
	M			examples/USER/quip/in.sw
	M			lib/quip/Makefile.lammps
	M			src/KOKKOS/pair_reax_c_kokkos.h
	M			src/USER-DPD/atom_vec_dpd.cpp
	M			src/USER-DPD/compute_dpd_atom.cpp
	M			src/USER-DPD/pair_exp6_rx.cpp
	M			src/USER-DPD/pair_multi_lucy.cpp
	M			src/USER-DPD/pair_multi_lucy_rx.cpp
	M			src/USER-DPD/pair_table_rx.cpp
	M			src/USER-INTEL/dihedral_charmm_intel.cpp
	M			src/USER-INTEL/dihedral_harmonic_intel.cpp
	M			src/USER-INTEL/dihedral_opls_intel.cpp
	M			src/USER-INTEL/fix_npt_intel.cpp
	M			src/USER-INTEL/fix_nve_asphere_intel.cpp
	M			src/USER-INTEL/pair_buck_coul_cut_intel.cpp
	M			src/USER-INTEL/pair_buck_coul_long_intel.cpp
	M			src/USER-INTEL/pair_buck_intel.cpp
	M			src/USER-INTEL/pair_tersoff_intel.cpp
	M			src/USER-MANIFOLD/fix_manifoldforce.cpp
	M			src/USER-MANIFOLD/fix_nve_manifold_rattle.cpp
	M			src/USER-MANIFOLD/fix_nvt_manifold_rattle.cpp
	M			src/compute_dipole_chunk.cpp
	M			tools/msi2lmp/README
	M			tools/msi2lmp/src/ReadMdfFile.c
	M			tools/msi2lmp/src/SearchAndFill.c
	M			tools/msi2lmp/src/msi2lmp.c
	M			tools/msi2lmp/src/msi2lmp.h
	M			tools/msi2lmp/test/reference/PyAC_bulk-clayff.data
	M			tools/msi2lmp/test/reference/PyAC_bulk-clayff.data2