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5253 Commits

Author SHA1 Message Date
Anne Gunn bc224bc66e Eliminate a doc build warning. pair_spin_dipole.txt was recently edited. Much content was removed and it no longer contained any internal reference links. But it still had a link anchor at the bottom. This was generating a build warning. I've removed the unused link anchor and an unneeded line separator. 2019-06-20 09:15:40 -06:00
Anne Gunn c9fc83ef6f Move two non-equation images from Eqs folder to JPG folder 2019-06-20 08:16:20 -06:00
Axel Kohlmeyer bb11344424
Merge pull request #1522 from akohlmey/next_version 
Step version string for next patch release
 2019-06-18 22:01:42 -04:00
Axel Kohlmeyer e754fb80a4
Merge pull request #1518 from akohlmey/collected-small-changes 
Collected small changes and fixes for the next patch release
 2019-06-18 16:21:41 -04:00
Axel Kohlmeyer d98c105d34
step version string to 18 June 2019 2019-06-18 11:52:09 -04:00
Axel Kohlmeyer 961dcfc261
mention alternate build environment generators for cmake 2019-06-18 11:50:06 -04:00
Axel Kohlmeyer 81cdce9b04
flag and document that USER-TALLY computes are not compatible with dynamic groups 2019-06-18 00:14:48 -04:00
Axel Kohlmeyer a39a35af20
Merge pull request #1517 from jrgissing/bond/react-clarify-template-check-messages 
Bond/react: clarify reaction-template warning messages
 2019-06-17 14:14:53 -04:00
Axel Kohlmeyer 5d73b0790f
Merge pull request #1510 from evoyiatzis/respa_class_2 
Implementation of inner/middle/outer compute methods for lj/class2
 2019-06-17 14:13:47 -04:00
Axel Kohlmeyer 93fd33aad9
Merge pull request #1507 from athomps/yarray 
Back-porting of Zombie SNAP improvements
 2019-06-17 14:13:28 -04:00
Axel Kohlmeyer 6536399fc3
Merge pull request #1476 from uihsnv/log_spacing 
A function logfreq3(), for logarithmic spacing
 2019-06-17 14:12:59 -04:00
Axel Kohlmeyer 2f29bd29f4
Merge pull request #1430 from ndtrung81/gpu-neigh-hybrid 
Enable neighbor build on the device for pair hybrid substyles
 2019-06-17 14:12:40 -04:00
jrgissing 4178c5167b clarify template error/warning message 2019-06-16 14:47:07 -06:00
Evangelos Voyiatzis e7116c8680
Update pair_class2.txt 
Addition of a few lines in the documentation file
 2019-06-14 09:04:03 +02:00
Aidan Thompson 5fb505ca8c Fixed typo 2019-06-13 10:24:18 -06:00
Aidan Thompson 67a1a63f5f Removed old text 2019-06-13 10:10:37 -06:00
Aidan Thompson a973700295 Completed back-porting of Zombie SNAP improvements, particularly noteworthy is reduction in memory footprint, elimination of most multidimensional arrays, elimination of diagonal_style, elimination of Z array in force calculation. 2019-06-12 16:42:28 -06:00
Axel Kohlmeyer daa53e3008
Merge pull request #1469 from julient31/pppm_spin 
Adding PPPM and Ewald solvers for electric dipoles and magnetic spins
 2019-06-12 14:50:18 -04:00
Axel Kohlmeyer e72ac92a7f
Merge pull request #1422 from stanmoore1/team_opt 
Optimize KOKKOS package for small systems
 2019-06-10 20:03:53 -04:00
Vishnu V. Krishnan cea1bd9cd9
Merging to stay up-to-date after patch 5Jun2019 2019-06-08 16:47:02 +05:30
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
Vishnu V. Krishnan 3b7c15a8b2
Merging to stay up-to-date 
Merge remote-tracking branch 'lammps_upstream/master' into log_spacing
 2019-06-01 10:33:27 +05:30
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
Stan Moore d717101e94 Merge branch 'master' of https://github.com/lammps/lammps into team_opt 2019-05-28 14:02:22 -06:00