12 Commits

Author	SHA1	Message	Date
Karl Hammond	d178a00ff6	Merge branch 'fortran-tinkering' of github.com:hammondkd/lammps into fortran-tinkering ... Finishing the edits	2022-08-10 11:39:31 -05:00
Karl Hammond	756074c073	Merge edits from two computers	2022-08-10 11:39:23 -05:00
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