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110 Commits

Author SHA1 Message Date
Karl Hammond
89b9967f2c Added part of lmp_extract_global 2022-08-10 11:37:15 -05:00
Karl Hammond
f442fc8540 Added reset_box, memory_usage, get_mpi_comm, extract_setting and associated documentation 2022-08-10 00:55:17 -05:00
Karl Hammond
7125682375 Added get_thermo and extract_box; added get_natoms to documentation; added a "TODO" for all other functions to implement 2022-08-09 21:18:33 -05:00
Axel Kohlmeyer
5867f15c6b make more explicit 2022-08-06 18:46:33 -04:00
Axel Kohlmeyer
322dc9a4de incorporate bugfixes and some suggestions from PR #3314 2022-08-06 17:43:40 -04:00
Axel Kohlmeyer
9a740a4a60 add lammps_kokos_finalize() support to various LAMMPS wrappers and document 2021-06-27 17:07:42 -04:00
Axel Kohlmeyer
2e6a0112d3 update URLs in some more files 2021-05-24 16:19:37 -04:00
Axel Kohlmeyer
a0d0f96e52 make f2c_string utility function portable across fortran compilers 2020-10-02 10:36:17 -04:00
Axel Kohlmeyer
a1cf6c087c no need to use a deprecated argument in a newly added API 2020-09-09 09:06:28 -04:00
Axel Kohlmeyer
3e92647abb add new "official" fortran interface to LAMMPS in new folder "fortran" 2020-08-28 20:56:15 -04:00
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