lammps

atomdata.txt

Wrote docs for extract_fix,extract_variable; fixed python so it knows about string variables; doc typo fixes; part of extract_variable unit test

2022-09-29 19:28:15 -05:00

CMakeLists.txt

Resolved merging conflicts in three files

2022-10-25 14:37:33 -05:00

greetings.txt

Implemented more unit tests; stuck on atomfile

2022-09-29 23:39:39 -05:00

keepstuff.f90

Resolved merging conflicts in three files

2022-10-25 14:37:33 -05:00

mpi_stubs.f90

simplify building serial executables by incorporating the STUBS/mpi.o object in LAMMPS library

2022-01-27 15:59:48 -05:00

test_fortran_box.f90

make capitalization and whitespace fortran coding style more consistent

2022-10-03 23:49:17 -04:00

test_fortran_commands.f90

consolidate fortran test keeper modules into a single module

2022-09-29 09:47:40 -04:00

test_fortran_configuration.f90

several bugs fixed; unit tests updated

2022-10-28 00:51:04 -05:00

test_fortran_create_atoms.f90

Implemented lmp_gather_bonds, lmp_find_*_neighlist, lmp_neighlist_num_elements, and their unit tests and documentation

2022-10-24 01:00:48 -05:00

test_fortran_create.f90

consolidate fortran test keeper modules into a single module

2022-09-29 09:47:40 -04:00

test_fortran_extract_atom.f90

make capitalization and whitespace fortran coding style more consistent

2022-10-03 23:49:17 -04:00

test_fortran_extract_compute.f90

make capitalization and whitespace fortran coding style more consistent

2022-10-03 23:49:17 -04:00

test_fortran_extract_fix.f90

make capitalization and whitespace fortran coding style more consistent

2022-10-03 23:49:17 -04:00

test_fortran_extract_global.f90

make capitalization and whitespace fortran coding style more consistent

2022-10-03 23:49:17 -04:00

test_fortran_extract_variable.f90

Refactor Fortran properties test into configuration; implemented several configuration functions and wrote unit tests for them; implemented missing unit tests

2022-10-20 20:24:59 -05:00

test_fortran_gather_scatter.f90

several bugs fixed; unit tests updated

2022-10-28 00:51:04 -05:00

test_fortran_get_thermo.f90

make capitalization and whitespace fortran coding style more consistent

2022-10-03 23:49:17 -04:00

test_fortran_neighlist.f90

Implemented lmp_gather_bonds, lmp_find_*_neighlist, lmp_neighlist_num_elements, and their unit tests and documentation

2022-10-24 01:00:48 -05:00

test_fortran_properties.f90

Refactor Fortran properties test into configuration; implemented several configuration functions and wrote unit tests for them; implemented missing unit tests

2022-10-20 20:24:59 -05:00

wrap_box.cpp

apply clang-format

2022-10-03 23:19:59 -04:00

wrap_commands.cpp

catch up on refactoring default destructors that were missed previously

2021-10-14 01:12:04 -04:00

wrap_configuration.cpp

several bugs fixed; unit tests updated

2022-10-28 00:51:04 -05:00

wrap_create_atoms.cpp

implemented create_atoms and encode_image_flags and unit tests for them; added IMGMASK and friends to extract_setting and unit tests for them; wrote documentation for them

2022-10-19 18:40:12 -05:00

wrap_create.cpp

reformat unittest sources with clang-format

2020-11-25 16:51:41 -05:00

wrap_extract_atom.cpp

apply clang-format

2022-10-03 23:19:59 -04:00

wrap_extract_compute.cpp

apply clang-format

2022-10-03 23:19:59 -04:00

wrap_extract_fix.cpp

apply clang-format

2022-10-03 23:19:59 -04:00

wrap_extract_global.cpp

apply clang-format

2022-10-03 23:19:59 -04:00

wrap_extract_variable.cpp

silence compiler warnings, avoid integer or buffer overflows

2022-10-05 10:52:17 -04:00

wrap_gather_scatter.cpp

several bugs fixed; unit tests updated

2022-10-28 00:51:04 -05:00

wrap_get_thermo.cpp

I wrote unit tests for all the Fortran interface commands in this pull request

2022-09-14 21:07:32 -05:00

wrap_neighlist.cpp

Implemented lmp_gather_bonds, lmp_find_*_neighlist, lmp_neighlist_num_elements, and their unit tests and documentation

2022-10-24 01:00:48 -05:00

wrap_properties.cpp

Refactor Fortran properties test into configuration; implemented several configuration functions and wrote unit tests for them; implemented missing unit tests

2022-10-20 20:24:59 -05:00