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6344 Commits

Author SHA1 Message Date
Michael Lamparski 0fa6472c51
Merge branch 'master' into omp4-compat 2020-04-08 23:13:05 -04:00
Axel Kohlmeyer f3e1db4174
one more false positive 2020-04-06 08:45:22 -04:00
Axel Kohlmeyer 56c07cec26
handle not previously flagged false positives 2020-04-06 08:28:12 -04:00
Axel Kohlmeyer 592a5fac53
fix bugs in doc makefile 2020-04-05 21:56:55 -04:00
Axel Kohlmeyer 97b11ea746
enforce using sphinx version 2.4.4, install spellchecker with all other sphinx tools 2020-04-05 21:36:06 -04:00
Axel Kohlmeyer 8b61aed3cb
update/order list of require texlive packages 2020-04-02 21:51:52 -04:00
Axel Kohlmeyer ce80cae5c4
update list of false positives for ubuntu 16.04 2020-04-02 17:42:11 -04:00
Axel Kohlmeyer 237c8f0bec
improve portability to older python versions 2020-04-02 17:13:19 -04:00
Axel Kohlmeyer a9dad3d46c
test for PDFLaTeX and update README 2020-04-02 14:31:47 -04:00
Evangelos Voyiatzis 596ec06960
Update fix_adapt.rst 2020-04-01 15:01:34 +02:00
Axel Kohlmeyer 1316e93eb2
Merge pull request #1870 from stanmoore1/kk_2.99 
Update Kokkos library to v3.0
 2020-03-30 13:35:48 -04:00
Axel Kohlmeyer 5a88db838d
Merge pull request #1946 from yafshar/kim-property 
Add new kim_property command
 2020-03-27 20:58:52 -04:00
Axel Kohlmeyer afc17b1d53
use american english spelling 2020-03-27 19:05:52 -04:00
Sebastian Hütter 2d15071c9f Update Errors_messages.rst 2020-03-27 23:22:17 +01:00
Sebastian Hütter 9e0e046eb2 MEAM/C: improve error messages and documentation 2020-03-26 17:20:23 +01:00
Stan Moore 0025dfe1e3 Update Kokkos CUDA minimum verison 2020-03-25 13:56:18 -06:00
Axel Kohlmeyer 3704d90efb
Merge branch 'master' into collected-small-fixes 2020-03-25 06:50:11 -04:00
Richard Berger 431647d943 Add link to official WSL docs 2020-03-24 18:52:05 -04:00
Richard Berger 0f35c1d009 Update ubuntu package name to libpng-dev 2020-03-24 18:43:20 -04:00
Axel Kohlmeyer 0060473cee
fix up some escaped '*' characters in "code-block" sections that do not need to be escaped 2020-03-24 11:35:21 -04:00
Michael Lamparski 6563331d6e rename to LAMMPS_OMP_COMPAT, improve docs 2020-03-20 13:21:21 -04:00
Michael Lamparski 9a1b4a8edb Add infrastructure for openmp4 compat 2020-03-20 12:46:24 -04:00
Steve Plimpton aabee4b328 one more change 2020-03-20 07:27:28 -06:00
Steve Plimpton 9ff71e2da0 fix a typo 2020-03-20 07:26:15 -06:00
Steve Plimpton 8b0e5c66ea tweak the docs for the new fix numdiff command 2020-03-20 07:23:01 -06:00
Axel Kohlmeyer 54c2381632
Merge pull request #1947 from akohlmey/next_lammps_version 
Step version string for next patch release
 2020-03-19 18:57:27 -04:00
Axel Kohlmeyer a7f16f521f
Merge branch 'master' into atc-doc-to-rst 2020-03-19 15:55:08 -04:00
Axel Kohlmeyer fb9b5c6dd0
remove command copying (the now removed) doc/src/USER into some output folders 2020-03-19 15:55:05 -04:00
Axel Kohlmeyer 6644caf817
fix rst formatting issues 2020-03-19 15:48:46 -04:00
Axel Kohlmeyer 223bfac229
remove ATC html files that are no longer needed 2020-03-19 15:44:53 -04:00
Axel Kohlmeyer a6adf95603
final batch of converted AtC doc files 2020-03-19 15:36:45 -04:00
Axel Kohlmeyer 65b6b6f2f8
next batch of converted files 2020-03-19 14:39:00 -04:00
Axel Kohlmeyer 84f89134d9
Merge branch 'master' into atc-doc-to-rst 
# Conflicts:
#	doc/src/Errors_messages.rst
 2020-03-19 11:28:02 -04:00
Axel Kohlmeyer 23509d0785
add missing entries for new pair styles 2020-03-19 11:09:41 -04:00
Axel Kohlmeyer 3d0fc4a112
update docs for updated CMake support with MinGW 2020-03-19 11:09:27 -04:00
Axel Kohlmeyer 5fbb1fa331
small tweak to MinGW preset and correct corresponding entry in documentation 2020-03-19 09:00:36 -04:00
Axel Kohlmeyer 42cff9270c
Merge branch 'master' into restart-consistency 2020-03-19 05:32:45 -04:00
Axel Kohlmeyer b40bc3993d
Merge branch 'master' into restart-consistency 2020-03-19 00:54:04 -04:00
Axel Kohlmeyer 53bc791b52
Merge branch 'collected-small-changes' of github.com:akohlmey/lammps into collected-small-changes 2020-03-19 00:51:30 -04:00
Axel Kohlmeyer f589cdb8c6
Merge branch 'master' into collected-small-changes 2020-03-19 00:29:08 -04:00
Axel Kohlmeyer 130113927b add new preset "intel" to enable Intel compilers. Tweak Clang settings 2020-03-19 00:22:41 -04:00
Axel Kohlmeyer b44d3afafe
next batch of converted files 2020-03-18 23:41:37 -04:00
Axel Kohlmeyer 17dd794514
Merge pull request #1891 from charlessievers/fix_numerical_differentiation 
New fix to compute properties by numerical differences
 2020-03-18 23:31:18 -04:00
Axel Kohlmeyer 060e4ff346
integrate fix numdiff into manual and remove bogus false positive from spellcheck 2020-03-18 23:09:43 -04:00
Axel Kohlmeyer 72b70a041d
small tweaks to align fix numdiff with the rest of the manual 2020-03-18 23:04:02 -04:00
Axel Kohlmeyer 842fe150eb
update coul/slater docs to align with recent changes in upstream 2020-03-18 21:07:57 -04:00
Axel Kohlmeyer 7ee63a0025
small spelling update 2020-03-18 21:02:40 -04:00
Axel Kohlmeyer 2714fad178
Merge branch 'master' into collected-small-changes 
# Conflicts:
#	doc/src/Build_development.rst
 2020-03-18 20:59:16 -04:00
Axel Kohlmeyer 164bf1b60e
Merge pull request #1883 from evoyiatzis/master 
Coulomb pair style with smeared out charges (coul/slater)
 2020-03-18 20:52:47 -04:00
Axel Kohlmeyer 2b39c9968f
Merge pull request #1913 from jrgissing/molecule_template_moleculeIDs 
Molecule template: molecule-IDs and fragments
 2020-03-18 20:31:29 -04:00