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lammps/unittest/fortran
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Axel Kohlmeyer 92e069b19d add fortran unit tests for lammps_last_thermo
2023-06-10 21:36:56 -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
use same main() function as with c-library interface.
2023-02-02 21:16:20 -05:00
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
increase portability and standard conformance
2022-10-31 13:05:53 -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
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_fixexternal.f90
replaced unit 0 with error_unit
2022-12-02 00:00:57 -06:00
test_fortran_gather_scatter.f90
add tests for gathering angles, dihedrals, impropers from fortran
2023-02-02 20:58:47 -05:00
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
simplify and modernize. apply clang-format.
2023-04-16 12:14:59 -04:00
wrap_create_atoms.cpp
silence some more compiler warnings
2022-10-31 18:02:58 -04:00
wrap_create.cpp
use same main() function as with c-library interface.
2023-02-02 21:16:20 -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_fixexternal.cpp
Bug fix and unit tests for fix external-related commands
2022-12-01 23:49:17 -06:00
wrap_gather_scatter.cpp
add tests for gathering angles, dihedrals, impropers from fortran
2023-02-02 20:58:47 -05:00
wrap_get_thermo.cpp
add fortran unit tests for lammps_last_thermo
2023-06-10 21:36:56 -04:00
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
apply clang-format
2023-04-16 12:35:41 -04:00