Axel Kohlmeyer 0f7a41590d fix bug in lammps_reset_box() no-box check and error out when atoms exist

2021-05-13 12:46:43 -04:00

..

CMakeLists.txt

find manybody potentials

2021-04-03 10:23:31 -04:00

data.fourmol

import adapted example input deck

2020-09-13 16:47:29 -04:00

in.fourmol

start tests for lammps_extract_global()

2020-09-15 09:27:07 -04:00

test_library_commands.cpp

correctly process strings with DOS-style CR-LF in lammps_commands_string()

2021-03-13 15:48:22 -05:00

test_library_config.cpp

update unittest for lammps_config_has_mpi() change

2021-02-17 15:50:45 -05:00

test_library_mpi.cpp

simplify and apply clang-format

2021-03-24 11:24:55 -04:00

test_library_open.cpp

must free MPI communicators created by MPI_Comm_split()

2021-02-08 10:40:20 -05:00

test_library_properties.cpp

fix bug in lammps_reset_box() no-box check and error out when atoms exist

2021-05-13 12:46:43 -04:00

test_main.cpp

use https://lammps.sandia.gov based URLs consistently

2020-10-21 16:45:30 -04:00

test_main.h

use common main function that allows handling of common command line flags.

2020-09-13 16:46:59 -04:00