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19199 Commits

Author SHA1 Message Date
Axel Kohlmeyer 81c9b0b12e
small update to kspace overview 2020-01-12 10:17:56 -05:00
Axel Kohlmeyer 7b9abda6c4
refactor to use a function to process files with lists of styles 2020-01-12 10:17:14 -05:00
Axel Kohlmeyer c93ee1045c
Merge branch 'collected-small-changes' into doc-styles-check 2020-01-12 10:13:34 -05:00
Axel Kohlmeyer a0ecf539f6
clean up and correct some documentation link issues 2020-01-12 10:08:14 -05:00
Axel Kohlmeyer a957d1c4c2
fix whitespace issue 2020-01-11 21:05:08 -05:00
Axel Kohlmeyer 675bd26085
Merge branch 'master' into doc-styles-check 2020-01-11 21:00:49 -05:00
Axel Kohlmeyer 587fc9d962
Merge pull request #1828 from lammps/post-patch-tweaks 
minor omissions in recent patch release
 2020-01-11 21:00:09 -05:00
Axel Kohlmeyer 3b32141330
update documentation for style check 2020-01-11 20:47:10 -05:00
Axel Kohlmeyer d7242eaa6a
print total styles and count/report the number of issues 2020-01-11 20:41:14 -05:00
Axel Kohlmeyer 26830d09f8
hook style check into makefile 2020-01-11 20:39:58 -05:00
Axel Kohlmeyer 1d7b554e9a
Merge branch 'post-patch-tweaks' into doc-styles-check 2020-01-11 20:08:03 -05:00
Axel Kohlmeyer b2c4385661
clean up and correct fix style command overview 2020-01-11 20:02:23 -05:00
Axel Kohlmeyer b4a87d79a0
make anchors and file names for lj/switch3/coulgauss/long consistent 2020-01-11 20:02:04 -05:00
Axel Kohlmeyer bc9436a04f
add support for computes and fixes 2020-01-11 19:58:31 -05:00
Axel Kohlmeyer 4a58d356b0
Merge branch 'post-patch-tweaks' into doc-styles-check 2020-01-11 19:43:42 -05:00
Axel Kohlmeyer 05b68d9e0d
add missing pair style entries 2020-01-11 19:43:29 -05:00
Axel Kohlmeyer 019c70140f
add and correct kspace style entries 2020-01-11 19:43:18 -05:00
Axel Kohlmeyer 7ea366b3ce
fix formatting issue 2020-01-11 19:42:40 -05:00
Axel Kohlmeyer 1d838dad19
add checking of kspace styles 2020-01-11 19:41:59 -05:00
Axel Kohlmeyer 555f9b3450
Merge branch 'post-patch-tweaks' into doc-styles-check 2020-01-11 19:16:44 -05:00
Axel Kohlmeyer ff7110028b
make doc of pair style mm3/switch3/coulgauss/long consistent and complete 2020-01-11 19:16:34 -05:00
Axel Kohlmeyer 66296616ae
handle removed styles on bonded command table 2020-01-11 19:10:21 -05:00
Axel Kohlmeyer 8f9c3a3a9c
Merge branch 'post-patch-tweaks' into doc-styles-check 2020-01-11 19:04:38 -05:00
Axel Kohlmeyer 84a975439a
clean up pair style command overview some 2020-01-11 19:04:02 -05:00
Axel Kohlmeyer f713e9acc3
add missing bond style 2020-01-11 19:03:20 -05:00
Axel Kohlmeyer 297d31ab8f
clean up and update general command overview 2020-01-11 19:02:49 -05:00
Axel Kohlmeyer a38cf075db
add checks for global commands, pair and bonded styles 2020-01-11 18:53:09 -05:00
Axel Kohlmeyer 7ebddb6088
Merge pull request #1829 from lammps/rerun-example 
added rerun example dir
 2020-01-11 18:49:40 -05:00
Axel Kohlmeyer 0c1157362a
Merge pull request #1830 from lammps/fix-bond-create-warn 
add warning to fix bond/create
 2020-01-11 18:49:17 -05:00
Axel Kohlmeyer 00a31f6637
Merge branch 'master' into doc-styles-check 2020-01-11 17:05:16 -05:00
Axel Kohlmeyer d7d1d57170
remove outdated txt files 2020-01-11 16:35:27 -05:00
Axel Kohlmeyer e1849232b8
remove redundant lj/cut/tip4p/long/gpu entry and correct underline length 2020-01-11 16:21:42 -05:00
Axel Kohlmeyer 9c207bb751
remove outdated .txt file for pair style meam/c 2020-01-11 16:20:13 -05:00
Axel Kohlmeyer 4f35682828
list added example folder in manual 2020-01-11 16:15:49 -05:00
Axel Kohlmeyer 67b9fd10cc
rename output files to correctly match the used version 2020-01-11 16:12:58 -05:00
Axel Kohlmeyer cb8313d947
document added warning for fix bond/create 2020-01-11 16:08:37 -05:00
Steve Plimpton 8fa0700df1 add warning to fix bond/create 2020-01-10 16:49:09 -07:00
Axel Kohlmeyer d0eb41b61e
disallow per substyle special bond factors with certain suffix styles 2020-01-10 16:58:39 -05:00
Steve Plimpton d5192c1043 added an example for recalculating the RDF at a longer cutoff via rerun 2020-01-10 14:37:45 -07:00
Steve Plimpton 6e3559a6e7 added rerun example dir 2020-01-10 14:09:38 -07:00
Axel Kohlmeyer 4989c3a878
convert static const ints to an enumerator 2020-01-10 15:30:26 -05:00
Axel Kohlmeyer f073a64549
add suffix_flag settings to GPU package styles 2020-01-10 15:29:53 -05:00
Steve Plimpton 664227ff11 one more tweak 2020-01-09 17:41:02 -07:00
Steve Plimpton d1222bd3c0 minor omissions in recent patch release 2020-01-09 17:38:50 -07:00
Axel Kohlmeyer 7b8498fab6
Merge pull request #1825 from akohlmey/next_patch_version 
Step version string for next patch release
 2020-01-08 18:09:05 -05:00
Axel Kohlmeyer 514271c984
recover compilation with -DLAMMPS_BIGBIG and fix whitespace and formatting issues 2020-01-08 17:57:54 -05:00
Axel Kohlmeyer c482a04f80
fix whitespace issue 2020-01-08 17:21:35 -05:00
Axel Kohlmeyer a3fd7345a7
Merge branch 'master' into next_patch_version 2020-01-08 17:20:36 -05:00
Axel Kohlmeyer 18a0cd3ead
Merge pull request #1817 from akohlmey/collected-small-fixes 
Collected small bugfixes and updates
 2020-01-08 17:16:34 -05:00
Axel Kohlmeyer d3eed9dba4
Merge pull request #1752 from ndtrung81/gpu-mem-leak-init 
Fixed bugs with kernel (re)compiling when the global device got clear and reinitialized
 2020-01-08 16:17:13 -05:00