lammps

Files

Axel Kohlmeyer 757e2f8cff Merge branch 'master' into refactor-reaxff-parser

# Conflicts:
#	doc/src/fix_qeq_reax.rst
#	src/OPENMP/reaxc_bond_orders_omp.h
#	src/OPENMP/reaxc_bonds_omp.h
#	src/OPENMP/reaxc_forces_omp.h
#	src/OPENMP/reaxc_hydrogen_bonds_omp.h
#	src/OPENMP/reaxc_init_md_omp.cpp
#	src/OPENMP/reaxc_init_md_omp.h
#	src/OPENMP/reaxc_multi_body_omp.h
#	src/OPENMP/reaxc_nonbonded_omp.h
#	src/OPENMP/reaxc_torsion_angles_omp.h
#	src/OPENMP/reaxc_valence_angles_omp.h
#	src/OPENMP/reaxff_omp.h
#	src/Purge.list
#	src/QEQ/fix_qeq.cpp
#	src/QEQ/fix_qeq.h
#	src/QEQ/fix_qeq_dynamic.cpp
#	src/QEQ/fix_qeq_fire.cpp
#	src/REAXFF/fix_qeq_reax.cpp
#	src/REAXFF/reaxc_allocate.h
#	src/REAXFF/reaxc_bond_orders.h
#	src/REAXFF/reaxc_bonds.h
#	src/REAXFF/reaxc_control.h
#	src/REAXFF/reaxc_defs.h
#	src/REAXFF/reaxc_ffield.h
#	src/REAXFF/reaxc_forces.h
#	src/REAXFF/reaxc_hydrogen_bonds.h
#	src/REAXFF/reaxc_init_md.cpp
#	src/REAXFF/reaxc_init_md.h
#	src/REAXFF/reaxc_io_tools.cpp
#	src/REAXFF/reaxc_io_tools.h
#	src/REAXFF/reaxc_list.h
#	src/REAXFF/reaxc_lookup.h
#	src/REAXFF/reaxc_multi_body.h
#	src/REAXFF/reaxc_nonbonded.h
#	src/REAXFF/reaxc_reset_tools.h
#	src/REAXFF/reaxc_system_props.cpp
#	src/REAXFF/reaxc_system_props.h
#	src/REAXFF/reaxc_tool_box.h
#	src/REAXFF/reaxc_torsion_angles.h
#	src/REAXFF/reaxc_traj.cpp
#	src/REAXFF/reaxc_traj.h
#	src/REAXFF/reaxc_types.h
#	src/REAXFF/reaxc_valence_angles.h
#	src/REAXFF/reaxc_vector.cpp
#	src/REAXFF/reaxc_vector.h
#	src/REAXFF/reaxff_api.h
#	src/REAXFF/reaxff_defs.h
#	src/REAXFF/reaxff_inline.h
#	src/REAXFF/reaxff_types.h
#	src/text_file_reader.cpp
#	src/text_file_reader.h
#	unittest/force-styles/tests/atomic-pair-reax_c.yaml
#	unittest/force-styles/tests/atomic-pair-reax_c_lgvdw.yaml
#	unittest/force-styles/tests/atomic-pair-yukawa_colloid.yaml

2021-07-12 14:25:47 -04:00

CMakeLists.txt

also make CMake scripts in unittest tree consistent

2021-05-25 15:10:18 -04:00

data.fourmol

add (incomplete) tester for reset_mol_ids (with a little use of reset_ids, too)

2020-07-06 21:26:11 -04:00

in.fourmol

add (incomplete) tester for reset_mol_ids (with a little use of reset_ids, too)

2020-07-06 21:26:11 -04:00

test_groups.cpp

Merge branch 'master' into refactor-reaxff-parser