Commit Graph

22697 Commits

Author SHA1 Message Date
0a21cdadb5 converted 4 more fix_modify atc commands 2020-03-12 15:49:05 -04:00
c139898f9f Convert a first set of AtC documentation html files to rst and add infrastructure files and links 2020-03-12 14:26:04 -04:00
fa7085be07 Merge pull request #1930 from giacomofiorin/remove-lepton-cxx11-check
Remove now unneeded check for C++11 in Lepton CMake build
2020-03-12 13:09:44 -04:00
437055f913 implement the scale keyword of fix adapt for diameter and charge 2020-03-12 11:11:38 -05:00
3b73b88b57 Merge pull request #1926 from akohlmey/doc-cleanup
Documentation cleanup
2020-03-12 11:49:54 -04:00
de6d1efe7a Remove now unneeded check for C++ standard in Lepton CMake build 2020-03-12 10:33:48 -04:00
010b1f7434 more conversion of parsed-literal to code-block and a bunch of other issues 2020-03-12 08:11:10 -04:00
e2b7054f74 include required header 2020-03-12 06:59:04 -04:00
4f0e9e2d26 some cleanup and consistency improvements in MESSAGE package code and docs 2020-03-12 06:51:06 -04:00
524b37598f correct various misspelled words and remove corresponding false positives 2020-03-12 06:25:42 -04:00
1372c20d94 Merge branch 'DOI' of github.com:e-kwsm/lammps into doc-cleanup 2020-03-12 05:43:44 -04:00
8af9d40392 Update DOI resolver
https://www.doi.org/doi_handbook/2_Numbering.html#htmlencoding
2020-03-12 16:53:24 +09:00
23a402ddd3 convert all remaining compute styles to use code-block instead of parsed literal 2020-03-12 01:56:13 -04:00
c6f846b925 converter tool for inlining external math is no longer needed 2020-03-12 01:20:30 -04:00
7e656b6cea convert more LAMMPS script examples to use code-block instead of parsed-literal 2020-03-12 01:11:38 -04:00
2775ebeb9d update trilinos URL 2020-03-12 00:47:00 -04:00
8a799c4b5f update cslib URLs to use https:// 2020-03-12 00:46:50 -04:00
30817162b9 update moltemplate URL to https:// 2020-03-12 00:42:23 -04:00
2c3d196ce8 remove broken link 2020-03-12 00:41:57 -04:00
3317f90940 update plumed URLs to use https:// 2020-03-12 00:32:44 -04:00
b961aa0542 update lammps.sandia.gov URLs to use https:// 2020-03-12 00:28:28 -04:00
6dd9a507ef update PyMol URLs 2020-03-12 00:21:20 -04:00
23569e67a0 update Ensight URL 2020-03-12 00:20:59 -04:00
e58aeebcce update URLs for pizza.py homepage 2020-03-12 00:13:58 -04:00
667c9f2a9f update AtomEye related URLs 2020-03-12 00:08:57 -04:00
cf48a0f01d use the name MacOS consistently 2020-03-11 19:32:43 -04:00
ddf14763f7 port diskfree detection in fix halt for MacOSX 2020-03-11 19:28:58 -04:00
e4489f58ca make forward declaration consistent with KIM-API code 2020-03-11 19:05:04 -04:00
d0f57289fc finish updating docs for fixes using code-block plus a few other improvements 2020-03-11 12:58:57 -04:00
5029bc9e1e more conversions from parsed-literal to code-block 2020-03-11 10:19:19 -04:00
8546bb51bf Layout images so they show up side-by-side in html and pdf and adapt to screen/paper size 2020-03-11 10:18:48 -04:00
e24feab5aa whitespace fix 2020-03-11 09:08:40 -04:00
68e5a18070 must try suffixes when recreating pair hybrid substyles from a restart 2020-03-11 08:45:35 -04:00
43a6c13f01 change 'groups' to 'fragments' 2020-03-10 21:11:34 -06:00
33996d9bac Merge pull request #1923 from akohlmey/collected_small_fixes
Collected small fixes for the next patch
2020-03-10 19:38:40 -04:00
b4919756d4 Fixed up delta note 2020-03-10 16:58:47 -06:00
a1188c035b Merge branch 'master' of https://github.com/charlessievers/lammps into fix_numerical_differentiation 2020-03-10 16:14:20 -06:00
7dafec1700 Removed misleading doc information and included errors 2020-03-10 16:12:02 -06:00
da2e6b2389 small cleaning 2020-03-10 21:55:17 +01:00
1f4725d652 replace parsed-literal with code-block where appropriate. typeset keywords in cursive 2020-03-10 16:54:04 -04:00
2d329a8b76 typeset symbols in water model howtos 2020-03-10 16:20:52 -04:00
ae9255e057 collapse multiple empty lines into a single empty line 2020-03-10 15:56:11 -04:00
e643e88913 remove trailing whitespace from documentation sources 2020-03-10 15:51:06 -04:00
e9f5b8246a whitespace fixes 2020-03-10 15:18:00 -04:00
5ffc12ffc0 Merge remote-tracking branch 'github/master' into collected_small_fixes 2020-03-10 15:16:07 -04:00
b9ff623c16 Merge pull request #1920 from jguenole/fire-debug
fire bug fix to avoid crashes due to lost atoms
2020-03-10 15:08:58 -04:00
7b7ca000b3 Merge pull request #1922 from weinbe2/snap-scratch
SNAP optimizations - hierarchical parallelism, scratch memory, data layout transformations
2020-03-10 15:07:46 -04:00
be037e222c Update pair_coul_slater.rst 2020-03-10 16:21:15 +01:00
9d7b15631d Add contributing author 2020-03-10 09:20:54 -06:00
30e997df69 Update false_positives.txt 2020-03-10 16:20:42 +01:00