Commit Graph

70 Commits

Author SHA1 Message Date
a2b74c8466 small doc update 2023-05-01 20:23:13 -04:00
ec87c71064 add documentation for fix wall/lepton, fix wall/table and WallTabulate() 2023-02-23 00:35:25 -05:00
d1550bf9f6 starting grammar, punctuation, and spelling review for developer info sections 2023-02-04 22:00:35 -05:00
c06470ca33 more revisions based on suggestions from languagetool.org 2023-01-22 16:53:39 -05:00
c6b73dc710 whitespace 2022-12-30 09:53:48 -05:00
33711ac36e make code-block formatting more consistent and align with documented conventions 2022-12-30 06:46:09 -05:00
2e6b975878 update version tag placeholders for added, removed, or changed functionality 2022-12-19 22:11:06 -05:00
8998ef23de update docs for tools/tabulate scripts 2022-12-16 02:49:39 -05:00
3a95a7b973 add utility to detect pending version tags in .. versionadded/changed:: 2022-09-25 03:51:54 -04:00
b37c145352 convert URLs to https where possible, check URLs for bit rot and update or remove 2022-09-24 08:02:18 -04:00
caa80ef344 use upper case LAMMPS as the name of the package consistently 2022-09-24 03:45:23 -04:00
55fdb7f12a update GPU container definitions for CUDA 11.7 and singularity -> apptainer 2022-06-08 08:19:54 -04:00
60b9fd2db8 minor tweaks simplify algorithm 2022-05-07 17:08:22 -04:00
6722d3fb00 add simple STL binary to ASCII converter (based on Wikipedia specs) 2022-05-07 16:26:25 -04:00
4d1bdb4741 add python tool to detect and remove (if desired) error docs from headers
also document the tools in the manual.
2022-04-23 13:52:12 -04:00
d85788305d update manual 2022-02-12 10:37:09 -05:00
60d03f34cc update create.f with changes from NIST database
also add parameters for Cr and document in README file and change
the code to create output files with .eam.alloy extension
2022-02-10 14:41:25 -05:00
5ff881fb0d Change "offsite" to "external" to correct broken URLs to lammps.org 2021-09-20 12:05:52 -04:00
4846d8283e convert chain.f to fortran 90+ style free format file chain.f90
this is to maintain compatibility with some newer fortran compilers
that do not support legacy style fortran by default anymore.
2021-08-25 18:38:08 -04:00
2d488bab6b Merge branch 'master' into collected-small-changes 2021-07-27 11:15:00 -04:00
7e6a06b1cc update Pizza.py URLs 2021-07-25 21:04:26 -04:00
5a79429f03 fix up some more package designations and clean up some legacy formatting 2021-07-25 20:23:37 -04:00
f8f4af471f general rename of files, styles, and keywords from "reax/c", "reax", or "reaxc" to "reaxff" 2021-07-21 21:52:25 -04:00
cc0d9f2be0 recover building the manual 2021-06-29 21:49:21 -04:00
878795e64a bulk rename of remaining USER- packages 2021-06-29 20:12:59 -04:00
c085e55695 rename USER-SMD package to MACHDYN 2021-06-29 17:19:39 -04:00
9cb82f4033 update docs for renames examples folders 2021-06-29 11:31:57 -04:00
09c19a936b update URLs in source code and manual 2021-05-24 14:18:20 -04:00
13fb03cf2c fix typo 2021-05-05 23:22:05 -04:00
bdbe773a08 add documentation for offline building scripts 2021-05-05 23:20:01 -04:00
1b409fbae8 update docs for magic patterns 2021-03-14 06:39:59 -04:00
84b0da3054 add a "magic" file for use with the file(1) command to detect LAMMPS files 2021-03-14 05:44:28 -04:00
74fe20b9a9 Update affiliations 2021-02-15 15:05:40 +01:00
a8c0142621 update docs for building SWIG Tcl wrapper 2020-10-20 21:22:39 -04:00
faf67662d5 fix typo 2020-10-20 16:47:56 -04:00
b9a57899a6 whitespace fix 2020-10-20 16:46:21 -04:00
eeaff55df7 SWIG support documentation update 2020-10-20 16:37:30 -04:00
cd444eefe2 Merge branch 'master' into swig-wrappers 2020-10-19 21:58:23 -04:00
f74203fb33 start adding documentation about SWIG wrapping to the manual 2020-10-19 01:00:02 -04:00
722b9c8cf3 small tweak 2020-10-16 22:46:33 -04:00
bdb4334210 add tip about using history as starting point for a new input 2020-10-11 16:13:13 -04:00
ee98ecc7bb document save_history command and a few more small tweaks 2020-10-11 15:47:38 -04:00
9950f0d259 small LAMMPS shell updates
- implement a "source" command (same as "include")
- synchronize documentation in manual and README
- updates to readline customizations
2020-10-11 13:53:15 -04:00
f63ff4cdc9 LAMMPS shell customization info and some usage tips 2020-10-11 12:00:16 -04:00
c0f58243cb use correct header levels for LAMMPS shell docs 2020-10-10 23:40:34 -04:00
188e1c3828 correct versionadded dates 2020-10-09 07:22:16 -04:00
ac6e99ae81 implement "mem" command into LAMMPS shell to print current and max memory use 2020-10-07 18:36:43 -04:00
5fa1cd7e86 small corrections 2020-10-07 05:33:55 -04:00
15f9987c32 add custom commands "cd" and "pwd" to the LAMMPS shell 2020-10-06 18:39:22 -04:00
f3b33ea0c6 address spelling issues 2020-10-04 14:10:35 -04:00