Merge remote-tracking branch 'upstream/lammps-icms' into…
7d1c34b5098d
Actions

Authored by Richard Berger <richard.berger@temple.edu> on Jun 28 2016, 18:08.

Description

Merge remote-tracking branch 'upstream/lammps-icms' into improved_python_interface

Details

Committed

Richard Berger <richard.berger@temple.edu>

Jun 28 2016, 18:08

Pushed

junge

Oct 6 2016, 16:49

Parents

rLAMMPS7d17dd1bf0d0: Merge remote-tracking branch 'upstream/lammps-icms' into…
rLAMMPSd8670ba7e328: Merge branch 'merge-gpu-patch' into lammps-icms

Branches

Unknown

Tags

Unknown

Event Timeline

Richard Berger <richard.berger@temple.edu> committed rLAMMPS7d1c34b5098d: Merge remote-tracking branch 'upstream/lammps-icms' into… (authored by Richard Berger <richard.berger@temple.edu>).Jun 28 2016, 18:08

Merged Changes

This commit merges a very large number of changes. Only the first 50 are shown.

Commit	Author	Details	Committed
d8670ba7e328	Axel Kohlmeyer	Merge branch 'merge-gpu-patch' into lammps-icms	Jun 24 2016
1bfe3a3ff5ba	Axel Kohlmeyer	Merge branch 'merge-pull-100' into lammps-icms	Jun 24 2016
9a31a5469319	Axel Kohlmeyer	fix a few small issues on USER-HADRESS docs. still much more work to do.	Jun 24 2016
317dcdf1783b	Axel Kohlmeyer	Cleanup of USER-HADRESS documentation to match the current state. regenerate…	Jun 24 2016
6ba8906ce2fe	Axel Kohlmeyer	Merge branch 'USER-HADRESS' of https://github.com/hadress/lammps into merge…	Jun 24 2016
7c016aee735e	Axel Kohlmeyer	remove trailing whitespace and replace tabs with spaces in gpu library and…	Jun 24 2016
b56bdd2d7bf3	Axel Kohlmeyer	remove trailing whitespace in gpu library	Jun 24 2016
bc8c50615c6d	Axel Kohlmeyer	include patch from trung that addresses issues when using manybody potentials…	Jun 24 2016
b69f79ca1b98	MaziarHeidari	HADRESS_Version_24_Jun_2016	Jun 24 2016
3424786a4779	MaziarHeidari	HADRESS_Version_24_Jun_2016	Jun 24 2016
1ed74de9a87f	MaziarHeidari	HADRESS_Version_24_Jun_2016	Jun 24 2016
7e4cd4643459	MaziarHeidari	HADRESS_Version_24_Jun_2016	Jun 24 2016
1f7f7bf12b45	MaziarHeidari	HADRESS_Version_24_Jun_2016	Jun 24 2016
2e4fdec2869b	MaziarHeidari	HADRESS_Version_24_Jun_2016	Jun 24 2016
824c0a359638	MaziarHeidari	HADRESS_Version_24_Jun_2016	Jun 24 2016
95ec7a3c0e70	Axel Kohlmeyer	fixup CR-LF mess	Jun 24 2016
52f73246b731	Axel Kohlmeyer	Merge remote-tracking branch 'lammps-ro/master' into lammps-icms	Jun 24 2016
ffc252e7843c	stamoor	Adding Kokkos ReaxFF files	Jun 23 2016
0434eb168973	stamoor	Adding Kokkos ReaxFF files	Jun 23 2016
8a8758f32161	Axel Kohlmeyer	Merge branch 'merge-pull-105' into lammps-icms	Jun 23 2016
84b7bce41cf6	Axel Kohlmeyer	Merge branch 'USER-DPD_restore_atom_style_support' of https://github.	Jun 23 2016
fb69d36b3eab	Axel Kohlmeyer	Merge remote-tracking branch 'lammps-ro/master' into lammps-icms	Jun 23 2016
1647a54020fb	Tim Mattox	Fix missing newlines in a few USER-DPD example input files.	Jun 23 2016
84d79d769f16	Tim Mattox	Update the documentation for atom_style restrictions for USER-DPD.	Jun 23 2016
297f31387fcf	Tim Mattox	Restore use of "atom_style atomic" in two of the USER-DPD examples.	Jun 23 2016
0ccd6c6ed96d	Tim Mattox	Move ssaAIR calculation code from atom_vec_dpd into fix_shardlow. Re-enables…	Jun 23 2016
a0cadae11ebd	Axel Kohlmeyer	Merge branch 'merge-pull-104' into lammps-icms	Jun 23 2016
6fa216d96cbe	Axel Kohlmeyer	add missing newline characters	Jun 23 2016
67c60a3ac725	Axel Kohlmeyer	Merge branch 'update-user-manifold' of https://github.com/Pakketeretet2/lammps…	Jun 23 2016
eaa3e82aff1a	Stefan Paquay	Forgot closing quotes.	Jun 23 2016
20681bac1a63	Stefan Paquay	Fixed bibtex entry to be proper bibtex.	Jun 23 2016
987f7f19c80c	Stefan Paquay	removed morse soft from wrong branch.	Jun 23 2016
fa7c2cea4d38	stamoor	Adding Kokkos mpi-only Makefile	Jun 22 2016
a1239e65607a	Tim Mattox	Fix the SSA AIR number for ghosts that fall exactly on the upper boundary. Bug…	Jun 21 2016
396523a0daac	Axel Kohlmeyer	Merge branch 'add-gw' into lammps-icms	Jun 21 2016
19e4cc0f101f	Axel Kohlmeyer	Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps…	Jun 21 2016
ca443e0b6da8	Axel Kohlmeyer	Merge branch 'USER-DPD_restartfix' of https://github.com/timattox/lammps into…	Jun 21 2016
7e65f67f2ba2	Tim Mattox	Fixes a bug when attempting to restart a reaction DPD calculation.	Jun 21 2016
b01d83f17801	Axel Kohlmeyer	force initialization of some member variables in compute rigid/local	Jun 21 2016
455c123191c4	Stefan Paquay	Fixed the citation to be a valid bibtex format.	Jun 21 2016
881dd7608c13	Axel Kohlmeyer	undo commit enabling a known to be broken feature	Jun 20 2016
9cab25d42c8b	Axel Kohlmeyer	Merge remote-tracking branch 'lammps-ro/master' into lammps-icms	Jun 20 2016
2f5827189b3c	Axel Kohlmeyer	Merge branch 'USER-HADRESS' of https://github.com/hadress/lammps into merge…	Jun 20 2016
d40eaf99429a	MaziarHeidari	HADRESS_NEW_REVISION	Jun 20 2016
4e62aa6510fc	Axel Kohlmeyer	Merge branch 'USER-HADRESS' of https://github.com/hadress/lammps into merge…	Jun 20 2016
10435ca8dcc7	MaziarHeidari	HADRESS_NEW_REVISION	Jun 20 2016
e707236bf733	MaziarHeidari	HADRESS_NEW_REVISION	Jun 20 2016
38c80e129fe8	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15210 f3b2605a-c512-4ea7…	Jun 18 2016
3ea4562a598a	Stefan Paquay	removed ramp again.	Jun 10 2016
d853ac5fd85f	Stefan Paquay	Updated pair_morse_soft to have a smoother ramp for lf < l < 1.	Jun 10 2016

Changes (337)
Show All Changes

Very Large Commit

This commit is very large. Load each file individually.

		Path
A		doc/src/Eqs/HADRESS_AT_pair_coul_dsf.jpg
A		doc/src/Eqs/HADRESS_AT_pair_coul_dsf.tex
A		doc/src/Eqs/HADRESS_AT_pair_lj.jpg
A		doc/src/Eqs/HADRESS_AT_pair_lj.tex
A		doc/src/Eqs/HADRESS_CG_pair_lj.jpg
A		doc/src/Eqs/HADRESS_CG_pair_lj.tex
A		doc/src/Eqs/HADRESS_Switching_Function_Cylinder.jpg
A		doc/src/Eqs/HADRESS_Switching_Function_Cylinder.tex
A		doc/src/Eqs/HADRESS_Switching_Function_Slab.jpg
A		doc/src/Eqs/HADRESS_Switching_Function_Slab.tex
A		doc/src/Eqs/HADRESS_Switching_Function_Sphere.jpg
A		doc/src/Eqs/HADRESS_Switching_Function_Sphere.tex
A		doc/src/Eqs/HADRESS_System_Hamiltonian.jpg
A		doc/src/Eqs/HADRESS_System_Hamiltonian.tex
A		doc/src/Eqs/HADRESS_System_Potentials.jpg
A		doc/src/Eqs/HADRESS_System_Potentials.tex
A		doc/src/JPG/HADRESS_MODEL_LAMMPS.png
A		doc/src/fix_lambdah_calc.txt
M		doc/src/fix_qeq_reax.txt
M		doc/src/fix_shardlow.txt
M		doc/src/pair_dpd_fdt.txt
A		doc/src/pair_lj_hars.txt
M		doc/src/pair_reax_c.txt
M		examples/USER/dpd/dpd-shardlow/data.dpd
M		examples/USER/dpd/dpd-shardlow/in.dpd-shardlow
M		examples/USER/dpd/dpd-shardlow/log.reference
M		examples/USER/dpd/dpdh-shardlow/in.dpdh-shardlow
M		examples/USER/dpd/dpdp-shardlow/data.dpd
M		examples/USER/dpd/dpdp-shardlow/in.dpdp-shardlow
M		examples/USER/dpd/dpdp-shardlow/log.reference
A	(dir)	examples/USER/hadress/
A	(dir)	examples/USER/hadress/H-AdResS/
A		examples/USER/hadress/H-AdResS/HADRESS_Water
A	(dir)	examples/USER/hadress/Relaxation/
A		examples/USER/hadress/Relaxation/LongSetup
A		examples/USER/hadress/Relaxation/molecule
M		lib/gpu/Makefile.linux
M		lib/gpu/geryon/nvd_device.h
M		lib/gpu/geryon/nvd_kernel.h
M		lib/gpu/geryon/nvd_mat.h
M		lib/gpu/geryon/nvd_memory.h
M		lib/gpu/geryon/nvd_texture.h
M		lib/gpu/geryon/nvd_timer.h
M		lib/gpu/geryon/ocl_device.h
M		lib/gpu/geryon/ocl_kernel.h
M		lib/gpu/geryon/ocl_mat.h
M		lib/gpu/geryon/ocl_memory.h
M		lib/gpu/geryon/ocl_texture.h
M		lib/gpu/geryon/ocl_timer.h
M		lib/gpu/geryon/ucl_arg_kludge.h
M		lib/gpu/geryon/ucl_basemat.h
M		lib/gpu/geryon/ucl_copy.h
M		lib/gpu/geryon/ucl_d_mat.h
M		lib/gpu/geryon/ucl_d_vec.h
M		lib/gpu/geryon/ucl_h_mat.h
M		lib/gpu/geryon/ucl_h_vec.h
M		lib/gpu/geryon/ucl_matrix.h
M		lib/gpu/geryon/ucl_nv_kernel.h
M		lib/gpu/geryon/ucl_print.h
M		lib/gpu/geryon/ucl_s_obj_help.h
M		lib/gpu/geryon/ucl_types.h
M		lib/gpu/geryon/ucl_vector.h
M		lib/gpu/lal_answer.cpp
M		lib/gpu/lal_atom.cpp
M		lib/gpu/lal_atom.cu
M		lib/gpu/lal_atom.h
M		lib/gpu/lal_balance.h
M		lib/gpu/lal_base_atomic.cpp
M		lib/gpu/lal_base_atomic.h
M		lib/gpu/lal_base_charge.cpp
M		lib/gpu/lal_base_charge.h
M		lib/gpu/lal_base_dipole.cpp
M		lib/gpu/lal_base_dipole.h
M		lib/gpu/lal_base_dpd.cpp
M		lib/gpu/lal_base_dpd.h
M		lib/gpu/lal_base_ellipsoid.cpp
M		lib/gpu/lal_base_ellipsoid.h
M		lib/gpu/lal_base_three.cpp
M		lib/gpu/lal_base_three.h
M		lib/gpu/lal_beck.cpp
M		lib/gpu/lal_beck.cu
M		lib/gpu/lal_beck.h
M		lib/gpu/lal_beck_ext.cpp
M		lib/gpu/lal_born.cpp
M		lib/gpu/lal_born.cu
M		lib/gpu/lal_born.h
M		lib/gpu/lal_born_coul_long.cpp
M		lib/gpu/lal_born_coul_long.cu
M		lib/gpu/lal_born_coul_long.h
M		lib/gpu/lal_born_coul_long_ext.cpp
M		lib/gpu/lal_born_coul_wolf.cpp
M		lib/gpu/lal_born_coul_wolf.cu
M		lib/gpu/lal_born_coul_wolf.h
M		lib/gpu/lal_born_coul_wolf_ext.cpp
M		lib/gpu/lal_born_ext.cpp
M		lib/gpu/lal_buck.cpp
M		lib/gpu/lal_buck.cu
M		lib/gpu/lal_buck.h
M		lib/gpu/lal_buck_coul.cpp
M		lib/gpu/lal_buck_coul.cu
M		lib/gpu/lal_buck_coul.h
M		lib/gpu/lal_buck_coul_ext.cpp
M		lib/gpu/lal_buck_coul_long.cpp
M		lib/gpu/lal_buck_coul_long.cu
M		lib/gpu/lal_buck_coul_long.h
M		lib/gpu/lal_buck_coul_long_ext.cpp
M		lib/gpu/lal_buck_ext.cpp
M		lib/gpu/lal_cg_cmm.cpp
M		lib/gpu/lal_cg_cmm.cu
M		lib/gpu/lal_cg_cmm.h
M		lib/gpu/lal_cg_cmm_ext.cpp
M		lib/gpu/lal_cg_cmm_long.cpp
M		lib/gpu/lal_cg_cmm_long.cu
M		lib/gpu/lal_cg_cmm_long.h
M		lib/gpu/lal_cg_cmm_long_ext.cpp
M		lib/gpu/lal_charmm_long.cpp
M		lib/gpu/lal_charmm_long.cu
M		lib/gpu/lal_charmm_long.h
M		lib/gpu/lal_charmm_long_ext.cpp
M		lib/gpu/lal_colloid.cpp
M		lib/gpu/lal_colloid.cu
M		lib/gpu/lal_colloid.h
M		lib/gpu/lal_colloid_ext.cpp
M		lib/gpu/lal_coul.cpp
M		lib/gpu/lal_coul.cu
M		lib/gpu/lal_coul.h
M		lib/gpu/lal_coul_debye.cpp
M		lib/gpu/lal_coul_debye.cu
M		lib/gpu/lal_coul_debye.h
M		lib/gpu/lal_coul_debye_ext.cpp
M		lib/gpu/lal_coul_dsf.cpp
M		lib/gpu/lal_coul_dsf.cu
M		lib/gpu/lal_coul_dsf.h
M		lib/gpu/lal_coul_dsf_ext.cpp
M		lib/gpu/lal_coul_ext.cpp
M		lib/gpu/lal_coul_long.cpp
M		lib/gpu/lal_coul_long.cu
M		lib/gpu/lal_coul_long.h
M		lib/gpu/lal_coul_long_ext.cpp
M		lib/gpu/lal_device.cpp
M		lib/gpu/lal_device.cu
M		lib/gpu/lal_device.h
M		lib/gpu/lal_dipole_lj.cpp
M		lib/gpu/lal_dipole_lj.cu
M		lib/gpu/lal_dipole_lj.h
M		lib/gpu/lal_dipole_lj_ext.cpp
M		lib/gpu/lal_dipole_lj_sf.cpp
M		lib/gpu/lal_dipole_lj_sf.cu
M		lib/gpu/lal_dipole_lj_sf.h
M		lib/gpu/lal_dipole_lj_sf_ext.cpp
M		lib/gpu/lal_dpd.cpp
M		lib/gpu/lal_dpd.cu
M		lib/gpu/lal_dpd.h
M		lib/gpu/lal_dpd_ext.cpp
M		lib/gpu/lal_eam.cpp
M		lib/gpu/lal_eam.cu
M		lib/gpu/lal_eam.h
M		lib/gpu/lal_eam_alloy_ext.cpp
M		lib/gpu/lal_eam_ext.cpp
M		lib/gpu/lal_eam_fs_ext.cpp
M		lib/gpu/lal_ellipsoid_extra.h
M		lib/gpu/lal_ellipsoid_nbor.cu
M		lib/gpu/lal_gauss.cpp
M		lib/gpu/lal_gauss.cu
M		lib/gpu/lal_gauss.h
M		lib/gpu/lal_gauss_ext.cpp
M		lib/gpu/lal_gayberne.cpp
M		lib/gpu/lal_gayberne.cu
M		lib/gpu/lal_gayberne.h
M		lib/gpu/lal_gayberne_ext.cpp
M		lib/gpu/lal_gayberne_lj.cu
M		lib/gpu/lal_lj.cpp
M		lib/gpu/lal_lj.cu
M		lib/gpu/lal_lj.h
M		lib/gpu/lal_lj96.cpp
M		lib/gpu/lal_lj96.cu
M		lib/gpu/lal_lj96.h
M		lib/gpu/lal_lj96_ext.cpp
M		lib/gpu/lal_lj_class2_long.cpp
M		lib/gpu/lal_lj_class2_long.cu
M		lib/gpu/lal_lj_class2_long.h
M		lib/gpu/lal_lj_class2_long_ext.cpp
M		lib/gpu/lal_lj_coul.cpp
M		lib/gpu/lal_lj_coul.cu
M		lib/gpu/lal_lj_coul.h
M		lib/gpu/lal_lj_coul_debye.cpp
M		lib/gpu/lal_lj_coul_debye.cu
M		lib/gpu/lal_lj_coul_debye.h
M		lib/gpu/lal_lj_coul_debye_ext.cpp
M		lib/gpu/lal_lj_coul_ext.cpp
M		lib/gpu/lal_lj_coul_long.cpp
M		lib/gpu/lal_lj_coul_long.cu
M		lib/gpu/lal_lj_coul_long.h
M		lib/gpu/lal_lj_coul_long_ext.cpp
M		lib/gpu/lal_lj_coul_msm.cpp
M		lib/gpu/lal_lj_coul_msm.cu
M		lib/gpu/lal_lj_coul_msm.h
M		lib/gpu/lal_lj_coul_msm_ext.cpp
M		lib/gpu/lal_lj_cubic.cpp
M		lib/gpu/lal_lj_cubic.cu
M		lib/gpu/lal_lj_cubic.h
M		lib/gpu/lal_lj_cubic_ext.cpp
M		lib/gpu/lal_lj_dsf.cpp
M		lib/gpu/lal_lj_dsf.cu
M		lib/gpu/lal_lj_dsf.h
M		lib/gpu/lal_lj_dsf_ext.cpp
M		lib/gpu/lal_lj_expand.cpp
M		lib/gpu/lal_lj_expand.cu
M		lib/gpu/lal_lj_expand.h
M		lib/gpu/lal_lj_expand_ext.cpp
M		lib/gpu/lal_lj_ext.cpp
M		lib/gpu/lal_lj_gromacs.cpp
M		lib/gpu/lal_lj_gromacs.cu
M		lib/gpu/lal_lj_gromacs.h
M		lib/gpu/lal_lj_gromacs_ext.cpp
M		lib/gpu/lal_mie.cpp
M		lib/gpu/lal_mie.cu
M		lib/gpu/lal_mie.h
M		lib/gpu/lal_mie_ext.cpp
M		lib/gpu/lal_morse.cpp
M		lib/gpu/lal_morse.cu
M		lib/gpu/lal_morse.h
M		lib/gpu/lal_morse_ext.cpp
M		lib/gpu/lal_neighbor.cpp
M		lib/gpu/lal_neighbor.h
M		lib/gpu/lal_neighbor_cpu.cu
M		lib/gpu/lal_neighbor_gpu.cu
M		lib/gpu/lal_neighbor_shared.cpp
M		lib/gpu/lal_neighbor_shared.h
M		lib/gpu/lal_pppm.cpp
M		lib/gpu/lal_pppm.cu
M		lib/gpu/lal_pppm.h
M		lib/gpu/lal_pppm_ext.cpp
M		lib/gpu/lal_precision.h
M		lib/gpu/lal_preprocessor.h
M		lib/gpu/lal_re_squared.cpp
M		lib/gpu/lal_re_squared.cu
M		lib/gpu/lal_re_squared.h
M		lib/gpu/lal_re_squared_ext.cpp
M		lib/gpu/lal_re_squared_lj.cu
M		lib/gpu/lal_soft.cpp
M		lib/gpu/lal_soft.cu
M		lib/gpu/lal_soft.h
M		lib/gpu/lal_soft_ext.cpp
M		lib/gpu/lal_sw.cpp
M		lib/gpu/lal_sw.cu
M		lib/gpu/lal_sw.h
M		lib/gpu/lal_sw_ext.cpp
M		lib/gpu/lal_table.cpp
M		lib/gpu/lal_table.cu
M		lib/gpu/lal_table.h
M		lib/gpu/lal_table_ext.cpp
M		lib/gpu/lal_tersoff.cpp
M		lib/gpu/lal_tersoff.cu
M		lib/gpu/lal_tersoff_ext.cpp
M		lib/gpu/lal_tersoff_extra.h
M		lib/gpu/lal_tersoff_mod.cpp
M		lib/gpu/lal_tersoff_mod.cu
M		lib/gpu/lal_tersoff_mod_ext.cpp
M		lib/gpu/lal_tersoff_mod_extra.h
M		lib/gpu/lal_tersoff_zbl.cpp
M		lib/gpu/lal_tersoff_zbl.cu
M		lib/gpu/lal_tersoff_zbl_ext.cpp
M		lib/gpu/lal_tersoff_zbl_extra.h
M		lib/gpu/lal_yukawa.cpp
M		lib/gpu/lal_yukawa.cu
M		lib/gpu/lal_yukawa.h
M		lib/gpu/lal_yukawa_colloid.cpp
M		lib/gpu/lal_yukawa_colloid.cu
M		lib/gpu/lal_yukawa_colloid.h
M		lib/gpu/lal_yukawa_colloid_ext.cpp
M		lib/gpu/lal_yukawa_ext.cpp
M		lib/gpu/lal_zbl.cpp
M		lib/gpu/lal_zbl.cu
M		lib/gpu/lal_zbl.h
M		lib/gpu/lal_zbl_ext.cpp
A		potentials/SiC.gw
A		potentials/SiC.gw.zbl
M		src/Depend.sh
M		src/GPU/pair_born_coul_long_gpu.cpp
M		src/GPU/pair_born_coul_wolf_gpu.cpp
M		src/GPU/pair_born_gpu.cpp
M		src/GPU/pair_lj_gromacs_gpu.cpp
M		src/GPU/pair_sw_gpu.cpp
M		src/GPU/pair_tersoff_gpu.cpp
M		src/GPU/pair_tersoff_mod_gpu.cpp
M		src/GPU/pair_tersoff_zbl_gpu.cpp
M		src/GPU/pair_zbl_gpu.cpp
M		src/KOKKOS/Install.sh
A		src/KOKKOS/fix_qeq_reax_kokkos.cpp
A		src/KOKKOS/fix_qeq_reax_kokkos.h
M		src/KOKKOS/kokkos_type.h
A		src/KOKKOS/pair_reax_c_kokkos.cpp
A		src/KOKKOS/pair_reax_c_kokkos.h
M		src/MAKE/OPTIONS/Makefile.kokkos_cuda_openmpi
P		src/MAKE/OPTIONS/Makefile.kokkos_mpi_only Copied from src/MAKE/OPTIONS/Makefile.kokkos_omp
P		src/MAKE/OPTIONS/Makefile.kokkos_omp Copied to src/MAKE/OPTIONS/Makefile.kokkos_mpi_only
M		src/MAKE/OPTIONS/Makefile.kokkos_phi
A		src/MANYBODY/pair_gw.cpp
A		src/MANYBODY/pair_gw.h
A		src/MANYBODY/pair_gw_zbl.cpp
A		src/MANYBODY/pair_gw_zbl.h
M		src/Makefile
M		src/RIGID/compute_rigid_local.cpp
M		src/USER-DPD/atom_vec_dpd.cpp
P		src/USER-DPD/atom_vec_dpd.h Copied to src/USER-HADRESS/atom_vec_full_hars.h
M		src/USER-DPD/fix_rx.cpp
M		src/USER-DPD/fix_shardlow.cpp
M		src/USER-DPD/fix_shardlow.h
M		src/USER-DPD/pair_dpd_fdt.cpp
A	(dir)	src/USER-HADRESS/
A		src/USER-HADRESS/README
A		src/USER-HADRESS/atom_vec_full_hars.cpp
P		src/USER-HADRESS/atom_vec_full_hars.h Copied from src/USER-DPD/atom_vec_dpd.h
A		src/USER-HADRESS/fix_lambdah_calc.cpp
A		src/USER-HADRESS/fix_lambdah_calc.h
A		src/USER-HADRESS/pair_lj_cut_coul_dsf_hars_at.cpp
A		src/USER-HADRESS/pair_lj_cut_coul_dsf_hars_at.h
A		src/USER-HADRESS/pair_lj_cut_hars_at.cpp
A		src/USER-HADRESS/pair_lj_cut_hars_at.h
A		src/USER-HADRESS/pair_lj_cut_hars_cg.cpp
A		src/USER-HADRESS/pair_lj_cut_hars_cg.h
M		src/USER-MANIFOLD/fix_nve_manifold_rattle.cpp
M		src/USER-MANIFOLD/fix_nvt_manifold_rattle.cpp
M		src/USER-REAXC/fix_qeq_reax.cpp
M		src/USER-REAXC/fix_qeq_reax.h
M		src/USER-REAXC/fix_reaxc_bonds.cpp
M		src/USER-REAXC/fix_reaxc_species.cpp
M		src/USER-REAXC/pair_reax_c.cpp
M		src/USER-REAXC/pair_reax_c.h
M		src/USER-REAXC/reaxc_lookup.h
M		src/USER-REAXC/reaxc_types.h
M		src/atom.cpp
M		src/atom.h
M		src/molecule.cpp
M		src/molecule.h
M		src/read_data.cpp