Axel Kohlmeyer 91272e7654 output endpoint gradient for some angle tabulations

2020-05-30 21:36:47 -04:00

..

tests

output endpoint gradient for some angle tabulations

2020-05-30 21:36:47 -04:00

angle_style.cpp

change format for equilibrium values and update writer and reader code, so it will become compatible with class2 angles/dihedrals/impropers

2020-05-30 17:50:38 -04:00

bond_style.cpp

change format for equilibrium values and update writer and reader code, so it will become compatible with class2 angles/dihedrals/impropers

2020-05-30 17:50:38 -04:00

CMakeLists.txt

make sure we compile and link against mpi_stubs when BUILD_MPI is disabled

2020-05-27 13:35:07 -04:00

error_stats.cpp

add unit test framework for pair, bond, angle styles from progguide branch

2020-05-19 22:24:31 -04:00

error_stats.h

add unit test framework for pair, bond, angle styles from progguide branch

2020-05-19 22:24:31 -04:00

pair_style.cpp

reduce displacements in single test for pair styles

2020-05-30 10:23:52 -04:00

test_config_reader.cpp

change format for equilibrium values and update writer and reader code, so it will become compatible with class2 angles/dihedrals/impropers

2020-05-30 17:50:38 -04:00

test_config_reader.h

add support for writing/reading equilibrium bond/angle data

2020-05-28 22:20:43 -04:00

test_config.h

add support for writing/reading equilibrium bond/angle data

2020-05-28 22:20:43 -04:00

test_main.cpp

add option to test main program to override the value of the INPUT_FOLDER variable

2020-05-20 15:23:32 -04:00

test_main.h

move definition of the INPUT_FOLDER variable from header to implementation file

2020-05-20 15:22:43 -04:00

yaml_reader.h

cosmetic changes for consistent source formatting

2020-05-20 07:40:37 -04:00

yaml_writer.cpp

cosmetic changes for consistent source formatting

2020-05-20 07:40:37 -04:00

yaml_writer.h

cosmetic changes for consistent source formatting

2020-05-20 07:40:37 -04:00