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8a0e9f6018
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add tests for gathering angles, dihedrals, impropers from fortran
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2023-02-02 20:58:47 -05:00 |
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5797ba5bcf
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convert Fortran version of lammps_gather_bonds() test to be similar to C version
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2023-02-02 19:10:51 -05:00 |
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a44f5c8594
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fix uninitialized memory access in fortran unit test. must have consumer to access compute
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2022-12-19 20:29:52 -05:00 |
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c0345845e8
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unit test for gather and scatter; char* to const char* in library.*
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2022-12-03 20:38:42 -06:00 |
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23c22b4f4f
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silence compiler warnings
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2022-10-31 13:06:03 -04:00 |
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624e230f4d
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several bugs fixed; unit tests updated
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2022-10-28 00:51:04 -05:00 |
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61c649fccb
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more strictly follow the Fortran 2003 standard requirements
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2022-10-17 18:49:04 -04:00 |
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46a72f685c
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address portability issues to the flang LLVM Fortran 2018 compiler
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2022-10-16 11:48:18 -04:00 |
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80da4c307c
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silence compiler warnings, avoid integer or buffer overflows
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2022-10-05 10:52:17 -04:00 |
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4e9b97d5cb
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make capitalization and whitespace fortran coding style more consistent
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2022-10-03 23:49:17 -04:00 |
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db9b59c269
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Implemented scatter_atoms and scatter_atoms_subset + unit tests + documentation + typos/edits
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2022-10-02 20:32:42 -05:00 |
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c5c21bb36c
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Implemented, tested, and documented gather_atoms and variants; added RST docs for lammps_scatter_atoms and lammps_gather_atoms and variants (library.cpp); checked for missing atom map in lammps_gather_atoms_subset; fixed bug in keepstuff.f90; fixed docs for extract_variable
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2022-10-02 15:28:10 -05:00 |
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