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5224 Commits

Author SHA1 Message Date
Andrew Schultz d9206127fb Add hyphen to roundoff, fix false positives 2019-06-12 11:40:21 -04:00
Andrew Schultz 2d90bb9947 Unbreak computes.txt 2019-06-10 17:12:01 -04:00
Andrew Schultz b195ccfb27 Unbreak compute.txt 2019-06-10 17:08:40 -04:00
Andrew Schultz 45a2f9ae68 Merge remote-tracking branch 'upstream/master' 2019-06-10 16:15:07 -04:00
Andrew Schultz 5c9c15025a Add bits to Packages_details, Packages_user, fix up typos 2019-06-10 16:13:34 -04:00
Axel Kohlmeyer 8e43a45925
Detect and error out on invalid kspace mesh settings. make coulomb and dispersion settings consistent 2019-06-05 01:10:44 -04:00
Axel Kohlmeyer 92f078cfff
nicer typesetting of "none, zero, hybrid" potential styles in commands lists 2019-06-04 22:29:25 -04:00
Axel Kohlmeyer 0849e03d1b
Merge pull request #1490 from akohlmey/next_version 
Step version number for stable release
 2019-06-04 15:23:13 -04:00
Axel Kohlmeyer 47c6cd86f2
Merge pull request #1477 from jrgissing/bond/react-reaction_topology_overflow 
Implement fix bond/react reaction topology overflow checks
 2019-06-04 11:02:57 -04:00
Axel Kohlmeyer 27cd78b96d
Merge pull request #1488 from akohlmey/doc-removed-features 
Document removed features
 2019-06-03 22:58:20 -04:00
Axel Kohlmeyer 272c536326
use 3 letters for month only 2019-06-03 22:52:40 -04:00
Axel Kohlmeyer 0b13fbe733
step version number for stable release 2019-06-03 22:47:44 -04:00
Axel Kohlmeyer a981626948
mention restart2data as removed feature as well 2019-06-03 09:01:22 -04:00
Axel Kohlmeyer 5f79a9ef80
mention dummy commands with error messages that have been added instead of removed commands 2019-06-02 21:51:06 -04:00
Axel Kohlmeyer 674e3975a8
add section to the Commands chapter listing and explaining removed packages and styles 2019-06-02 21:47:29 -04:00
Axel Kohlmeyer d0286b3de1
remove mention of USER-CUDA package and fix typo 2019-06-02 20:19:17 -04:00
jrgissing 983f3adbb4 bond/react doc final touches 2019-06-02 12:35:38 -06:00
jrgissing 58a88dff95 bond/react doc correction 2019-06-02 12:10:43 -06:00
jrgissing 0ba38aa072 bond/react doc tweak 2019-06-02 12:05:01 -06:00
jrgissing 2e63280f87 Update fix_bond_react.txt 2019-06-02 11:54:31 -06:00
jrgissing 68eab23cf8 bond/react: doc clarification 2019-06-01 16:24:37 -06:00
Steven Strong 6175f2dce8
Fix error in E3B documentation 2019-05-31 15:03:04 -05:00
Axel Kohlmeyer 5f657b9184
step version string for next release 2019-05-31 14:37:31 -04:00
Axel Kohlmeyer 3e4fd3dade
Merge pull request #1484 from akohlmey/reneighbor-64-bit-restart-fix 
Restart updates for fixes atom/swap, deposit, and gcmc
 2019-05-31 13:05:53 -04:00
Axel Kohlmeyer d8a30a9697
Merge pull request #1475 from akohlmey/collected-small-changes 
Collected small changes for stable release
 2019-05-31 13:05:21 -04:00
Axel Kohlmeyer 972a7a5c4d
add false positive for spell checking 2019-05-31 05:58:47 -04:00
jrgissing 311aebf7ff Update Errors_warnings.txt 2019-05-30 23:30:35 -06:00
jrgissing 16a254f6bd Update Errors_messages.txt 2019-05-30 23:29:43 -06:00
Axel Kohlmeyer 8b169d97f5
update documentation for updates to fix restarting 2019-05-31 00:58:10 -04:00
Axel Kohlmeyer 02e7dd5716
also allow %e in format variables of suffix 2019-05-30 14:52:26 -04:00
Axel Kohlmeyer 1a5c3c6dcb
add check that allows only %f and %g conversions in variable format strings 2019-05-30 14:46:07 -04:00
Axel Kohlmeyer daac3f7102
Merge pull request #1419 from akohlmey/report-uninstalled-pkg-style 
Improved error messages when a style is not found
 2019-05-30 06:34:56 -04:00
Axel Kohlmeyer fec2f8f69b
update docs for fully supporting hybrid styles 2019-05-29 14:39:45 -04:00
jrgissing e133c60ff5 bond/react docs: better English 2019-05-26 20:28:28 -06:00
jrgissing 97be57be7b additional topology overflow check for reactions 2019-05-26 15:53:49 -06:00
Axel Kohlmeyer e82e1c695a
correct links in package documentation 2019-05-24 19:45:48 -04:00
Axel Kohlmeyer cfad0634ac
Merge pull request #1465 from akohlmey/collected-minor-changes 
Collected small changes and bugfixes
 2019-05-21 16:55:19 -04:00
Axel Kohlmeyer d0c6484fb0
add false positive 2019-05-20 15:15:51 -04:00
Axel Kohlmeyer 0349e9fee9
update/correct list of example folders 2019-05-20 15:08:33 -04:00
Axel Kohlmeyer 55116db8fb
avoid segfault and print more meaningful error message with empty lines in coeff sections 2019-05-20 14:15:04 -04:00
Axel Kohlmeyer 50082c287d
sphinxcontrib-spelling has been updated for Sphinx 2.x. remove enforcing to use old version 2019-05-18 15:41:38 -04:00
Axel Kohlmeyer e3823a521c
remove leftover references to removed MEAM package 2019-05-18 15:36:13 -04:00
Axel Kohlmeyer 35bb2ac2a3
fix typo 2019-05-18 09:25:20 -04:00
Axel Kohlmeyer fb8d31422d
fix typo 2019-05-16 09:06:17 -04:00
Axel Kohlmeyer 27a2d0cbd4
add option to restrict coordination number by group 2019-05-16 08:55:03 -04:00
Axel Kohlmeyer 267782d689
Merge pull request #1459 from akohlmey/next-patch-release 
Step version string for next patch release
 2019-05-14 21:30:28 -04:00
Axel Kohlmeyer f2b293d93b
Merge pull request #1460 from akohlmey/collected-small-changes 
Some more small changes
 2019-05-14 17:55:36 -04:00
Axel Kohlmeyer 6e842ba84a
fix typo 2019-05-14 17:36:26 -04:00
Axel Kohlmeyer 30dc7f70b5
correct repeated words in docs 2019-05-14 17:13:46 -04:00
Steve Plimpton 67532684f9 add missing formatting info 2019-05-14 14:02:54 -06:00