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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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7172d1bdd1
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correct syntax error
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2023-02-01 03:53:32 -05:00 |
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2a18c76361
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preparations for unit tests of the Fortran module
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2023-01-30 00:06:30 -05:00 |
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0984b11cb4
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skip gather_bonds test when atom style full is no available
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2022-12-11 17:59:23 -05:00 |
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162f2f9384
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whitespace; versionadded tags
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2022-12-04 00:27:48 -06:00 |
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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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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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647c5e3572
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apply clang-format
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2022-10-03 23:19:59 -04:00 |
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fcf415d0b1
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Skipped scatter/gather tests when sizeof(tagint) is 8
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2022-10-03 18:01:33 -05:00 |
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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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