tx258/lammps-gran-kokkos
1
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity
Files
develop
lammps-gran-kokkos/unittest/fortran
History
Axel Kohlmeyer da2bc03ae6 do explicit loop over nlocal to avoid out-of-bounds access with implicit loop
2025-04-06 06:21:39 -04:00
..
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
require CMake version 3.16
2023-06-30 22:59:41 -04:00
data.fourmol
preparations for unit tests of the Fortran module
2023-01-30 00:06:30 -05:00
greetings.txt
Implemented more unit tests; stuck on atomfile
2022-09-29 23:39:39 -05:00
in.fourmol
preparations for unit tests of the Fortran module
2023-01-30 00:06:30 -05:00
keepstuff.f90
add fortran module tests for extracting atom properties with array dimensions
2024-08-31 12:16:27 -04:00
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
silence compiler warnings
2022-10-31 13:06:03 -04:00
test_fortran_create_atoms.f90
silence compiler warnings
2022-10-31 13:06:03 -04:00
test_fortran_create.f90
add c wrapper to allow testing fortran interface w/o fortran MPI libs
2022-12-11 18:00:35 -05:00
test_fortran_extract_atom.f90
add fortran module tests for extracting atom properties with array dimensions
2024-08-31 12:16:27 -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
add tests for new library APIs
2024-01-24 04:47:59 -05:00
test_fortran_fixexternal.f90
do explicit loop over nlocal to avoid out-of-bounds access with implicit loop
2025-04-06 06:21:39 -04:00
test_fortran_gather_scatter.f90
silence compiler warnings
2023-06-14 10:26:38 -04:00
test_fortran_get_thermo.f90
add fortran unit tests for lammps_last_thermo
2023-06-10 21:36:56 -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
clear memory before use
2022-12-19 20:52:15 -05:00
test_main.cpp
use same main() function as with c-library interface.
2023-02-02 21:16:20 -05:00
test_main.h
use same main() function as with c-library interface.
2023-02-02 21:16:20 -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
bugfix for unittest/fortran/wrap_configuration.cpp
2024-07-15 17:47:22 -04:00
wrap_create_atoms.cpp
modernize and reformat with clang-tidy and clang-format
2024-07-04 11:17:54 -04:00
wrap_create.cpp
modernize and reformat with clang-tidy and clang-format
2024-07-04 11:17:54 -04:00
wrap_extract_atom.cpp
add fortran module tests for extracting atom properties with array dimensions
2024-08-31 12:16:27 -04:00
wrap_extract_compute.cpp
apply clang-format
2022-10-03 23:19:59 -04:00
wrap_extract_fix.cpp
modernize and reformat with clang-tidy and clang-format
2024-07-04 11:17:54 -04:00
wrap_extract_global.cpp
update remaining places that used to support -DLAMMPS_SMALLSMALL
2025-03-15 02:11:50 -04:00
wrap_extract_variable.cpp
core files: replace sprintf with snprintf
2024-07-13 15:33:56 -06:00
wrap_fixexternal.cpp
modernize and reformat with clang-tidy and clang-format
2024-07-04 11:17:54 -04:00
wrap_gather_scatter.cpp
modernize and reformat with clang-tidy and clang-format
2024-07-04 11:17:54 -04:00
wrap_get_thermo.cpp
update remaining places that used to support -DLAMMPS_SMALLSMALL
2025-03-15 02:11:50 -04:00
wrap_neighlist.cpp
modernize and reformat with clang-tidy and clang-format
2024-07-04 11:17:54 -04:00
wrap_properties.cpp
update remaining places that used to support -DLAMMPS_SMALLSMALL
2025-03-15 02:11:50 -04:00