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20207 Commits

Author SHA1 Message Date
Axel Kohlmeyer 2775ebeb9d
update trilinos URL 2020-03-12 00:47:00 -04:00
Axel Kohlmeyer 8a799c4b5f
update cslib URLs to use https:// 2020-03-12 00:46:50 -04:00
Axel Kohlmeyer 30817162b9
update moltemplate URL to https:// 2020-03-12 00:42:23 -04:00
Axel Kohlmeyer 2c3d196ce8
remove broken link 2020-03-12 00:41:57 -04:00
Axel Kohlmeyer 3317f90940
update plumed URLs to use https:// 2020-03-12 00:32:44 -04:00
Axel Kohlmeyer b961aa0542
update lammps.sandia.gov URLs to use https:// 2020-03-12 00:28:28 -04:00
Axel Kohlmeyer 6dd9a507ef
update PyMol URLs 2020-03-12 00:21:20 -04:00
Axel Kohlmeyer 23569e67a0
update Ensight URL 2020-03-12 00:20:59 -04:00
Axel Kohlmeyer e58aeebcce
update URLs for pizza.py homepage 2020-03-12 00:13:58 -04:00
Axel Kohlmeyer 667c9f2a9f
update AtomEye related URLs 2020-03-12 00:08:57 -04:00
Axel Kohlmeyer cf48a0f01d
use the name MacOS consistently 2020-03-11 19:32:43 -04:00
Axel Kohlmeyer ddf14763f7
port diskfree detection in fix halt for MacOSX 2020-03-11 19:28:58 -04:00
Axel Kohlmeyer e4489f58ca
make forward declaration consistent with KIM-API code 2020-03-11 19:05:04 -04:00
Axel Kohlmeyer d0f57289fc
finish updating docs for fixes using code-block plus a few other improvements 2020-03-11 12:58:57 -04:00
Axel Kohlmeyer 5029bc9e1e
more conversions from parsed-literal to code-block 2020-03-11 10:19:19 -04:00
Axel Kohlmeyer 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
Axel Kohlmeyer e24feab5aa
whitespace fix 2020-03-11 09:08:40 -04:00
Axel Kohlmeyer 68e5a18070
must try suffixes when recreating pair hybrid substyles from a restart 2020-03-11 08:45:35 -04:00
jrgissing 43a6c13f01 change 'groups' to 'fragments' 2020-03-10 21:11:34 -06:00
Axel Kohlmeyer 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
Sievers b4919756d4 Fixed up delta note 2020-03-10 16:58:47 -06:00
Sievers a1188c035b Merge branch 'master' of https://github.com/charlessievers/lammps into fix_numerical_differentiation 2020-03-10 16:14:20 -06:00
Sievers 7dafec1700 Removed misleading doc information and included errors 2020-03-10 16:12:02 -06:00
Evangelos Voyiatzis da2e6b2389
small cleaning 2020-03-10 21:55:17 +01:00
Axel Kohlmeyer 1f4725d652
replace parsed-literal with code-block where appropriate. typeset keywords in cursive 2020-03-10 16:54:04 -04:00
Axel Kohlmeyer 2d329a8b76
typeset symbols in water model howtos 2020-03-10 16:20:52 -04:00
Axel Kohlmeyer ae9255e057
collapse multiple empty lines into a single empty line 2020-03-10 15:56:11 -04:00
Axel Kohlmeyer e643e88913
remove trailing whitespace from documentation sources 2020-03-10 15:51:06 -04:00
Axel Kohlmeyer e9f5b8246a
whitespace fixes 2020-03-10 15:18:00 -04:00
Axel Kohlmeyer 5ffc12ffc0
Merge remote-tracking branch 'github/master' into collected_small_fixes 2020-03-10 15:16:07 -04:00
Axel Kohlmeyer 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
Axel Kohlmeyer 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
Evangelos Voyiatzis be037e222c
Update pair_coul_slater.rst 2020-03-10 16:21:15 +01:00
Stan Moore 9d7b15631d Add contributing author 2020-03-10 09:20:54 -06:00
Evangelos Voyiatzis 30e997df69
Update false_positives.txt 2020-03-10 16:20:42 +01:00
Stan Moore 4e31d622ce Whitespace and comment cleanup 2020-03-10 09:11:29 -06:00
Evangelos Voyiatzis f73e21f2ca
Update false_positives.txt 2020-03-10 16:05:25 +01:00
Evangelos Voyiatzis b477d8920b
Update pair_coul_slater.rst 2020-03-10 15:42:32 +01:00
Evangelos Voyiatzis 8332afd2b2
one more spelling error 2020-03-10 15:27:51 +01:00
Evangelos Voyiatzis 866899da21
correct spelling error in equation 2020-03-10 15:18:04 +01:00
Evangelos Voyiatzis 35a63e21a0
Update pair_coul_slater.rst 2020-03-10 14:34:40 +01:00
Evangelos Voyiatzis 4f917fff43
increase the Title underline 2020-03-10 11:51:17 +01:00
Axel Kohlmeyer 66c019e78b
more explicitly describe how force/virial depend on random numbers 2020-03-10 06:43:13 -04:00
Evangelos Voyiatzis 7959e3ff81
Move rst file to the correct location 2020-03-10 11:26:52 +01:00
Evangelos Voyiatzis 6fb84eba32
Update false_positives.txt 2020-03-10 10:47:54 +01:00
Evangelos Voyiatzis 3092ee89d3
Update Commands_pair.rst 2020-03-10 09:55:04 +01:00
Axel Kohlmeyer 6fb42a42b8
check for I/O error before closing restart file 2020-03-09 17:42:00 -04:00
Axel Kohlmeyer cf64ba4059
whitespace cleanup 2020-03-09 16:31:53 -04:00
Axel Kohlmeyer 69a206f720
add diskfree check to fix halt 2020-03-09 16:23:20 -04:00
Axel Kohlmeyer 072ce8947b
list errors and warnings from fix halt 2020-03-09 16:23:02 -04:00