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395a9d3739
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Fold hma compute into USER-MISC
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2019-06-19 16:12:15 -04:00 |
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52a3d825ef
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Explain more about advantages of HMA, restrictions, point to examples/hma
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2019-06-19 13:35:35 -04:00 |
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26347ec80c
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Add docs for compute momentum
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2019-06-19 13:56:00 +01:00 |
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bb11344424
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Merge pull request #1522 from akohlmey/next_version
Step version string for next patch release
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2019-06-18 22:01:42 -04:00 |
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e754fb80a4
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Merge pull request #1518 from akohlmey/collected-small-changes
Collected small changes and fixes for the next patch release
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2019-06-18 16:21:41 -04:00 |
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d98c105d34
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step version string to 18 June 2019
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2019-06-18 11:52:09 -04:00 |
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961dcfc261
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mention alternate build environment generators for cmake
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2019-06-18 11:50:06 -04:00 |
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81cdce9b04
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flag and document that USER-TALLY computes are not compatible with dynamic groups
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2019-06-18 00:14:48 -04:00 |
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a39a35af20
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Merge pull request #1517 from jrgissing/bond/react-clarify-template-check-messages
Bond/react: clarify reaction-template warning messages
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2019-06-17 14:14:53 -04:00 |
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5d73b0790f
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Merge pull request #1510 from evoyiatzis/respa_class_2
Implementation of inner/middle/outer compute methods for lj/class2
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2019-06-17 14:13:47 -04:00 |
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93fd33aad9
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Merge pull request #1507 from athomps/yarray
Back-porting of Zombie SNAP improvements
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2019-06-17 14:13:28 -04:00 |
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6536399fc3
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Merge pull request #1476 from uihsnv/log_spacing
A function logfreq3(), for logarithmic spacing
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2019-06-17 14:12:59 -04:00 |
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2f29bd29f4
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Merge pull request #1430 from ndtrung81/gpu-neigh-hybrid
Enable neighbor build on the device for pair hybrid substyles
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2019-06-17 14:12:40 -04:00 |
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4178c5167b
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clarify template error/warning message
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2019-06-16 14:47:07 -06:00 |
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3611cfdaf8
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All styles support setting molecules' orientation
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2019-06-14 19:58:31 +02:00 |
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e7116c8680
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Update pair_class2.txt
Addition of a few lines in the documentation file
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2019-06-14 09:04:03 +02:00 |
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5fb505ca8c
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Fixed typo
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2019-06-13 10:24:18 -06:00 |
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67a1a63f5f
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Removed old text
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2019-06-13 10:10:37 -06:00 |
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a973700295
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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.
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2019-06-12 16:42:28 -06:00 |
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daa53e3008
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Merge pull request #1469 from julient31/pppm_spin
Adding PPPM and Ewald solvers for electric dipoles and magnetic spins
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2019-06-12 14:50:18 -04:00 |
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d9206127fb
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Add hyphen to roundoff, fix false positives
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2019-06-12 11:40:21 -04:00 |
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e72ac92a7f
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Merge pull request #1422 from stanmoore1/team_opt
Optimize KOKKOS package for small systems
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2019-06-10 20:03:53 -04:00 |
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664b938ed1
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document kim_style changes
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2019-06-10 17:45:07 -04:00 |
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2d90bb9947
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Unbreak computes.txt
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2019-06-10 17:12:01 -04:00 |
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b195ccfb27
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Unbreak compute.txt
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2019-06-10 17:08:40 -04:00 |
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45a2f9ae68
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Merge remote-tracking branch 'upstream/master'
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2019-06-10 16:15:07 -04:00 |
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5c9c15025a
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Add bits to Packages_details, Packages_user, fix up typos
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2019-06-10 16:13:34 -04:00 |
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cea1bd9cd9
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Merging to stay up-to-date after patch 5Jun2019
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2019-06-08 16:47:02 +05:30 |
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8e43a45925
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Detect and error out on invalid kspace mesh settings. make coulomb and dispersion settings consistent
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2019-06-05 01:10:44 -04:00 |
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92f078cfff
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nicer typesetting of "none, zero, hybrid" potential styles in commands lists
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2019-06-04 22:29:25 -04:00 |
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0849e03d1b
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Merge pull request #1490 from akohlmey/next_version
Step version number for stable release
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2019-06-04 15:23:13 -04:00 |
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47c6cd86f2
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Merge pull request #1477 from jrgissing/bond/react-reaction_topology_overflow
Implement fix bond/react reaction topology overflow checks
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2019-06-04 11:02:57 -04:00 |
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27cd78b96d
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Merge pull request #1488 from akohlmey/doc-removed-features
Document removed features
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2019-06-03 22:58:20 -04:00 |
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272c536326
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use 3 letters for month only
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2019-06-03 22:52:40 -04:00 |
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0b13fbe733
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step version number for stable release
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2019-06-03 22:47:44 -04:00 |
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a981626948
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mention restart2data as removed feature as well
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2019-06-03 09:01:22 -04:00 |
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5f79a9ef80
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mention dummy commands with error messages that have been added instead of removed commands
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2019-06-02 21:51:06 -04:00 |
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674e3975a8
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add section to the Commands chapter listing and explaining removed packages and styles
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2019-06-02 21:47:29 -04:00 |
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d0286b3de1
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remove mention of USER-CUDA package and fix typo
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2019-06-02 20:19:17 -04:00 |
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983f3adbb4
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bond/react doc final touches
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2019-06-02 12:35:38 -06:00 |
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58a88dff95
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bond/react doc correction
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2019-06-02 12:10:43 -06:00 |
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0ba38aa072
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bond/react doc tweak
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2019-06-02 12:05:01 -06:00 |
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2e63280f87
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Update fix_bond_react.txt
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2019-06-02 11:54:31 -06:00 |
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68eab23cf8
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bond/react: doc clarification
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2019-06-01 16:24:37 -06:00 |
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3b7c15a8b2
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Merging to stay up-to-date
Merge remote-tracking branch 'lammps_upstream/master' into log_spacing
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2019-06-01 10:33:27 +05:30 |
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6175f2dce8
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Fix error in E3B documentation
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2019-05-31 15:03:04 -05:00 |
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5f657b9184
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step version string for next release
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2019-05-31 14:37:31 -04:00 |
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3e4fd3dade
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Merge pull request #1484 from akohlmey/reneighbor-64-bit-restart-fix
Restart updates for fixes atom/swap, deposit, and gcmc
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2019-05-31 13:05:53 -04:00 |
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d8a30a9697
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Merge pull request #1475 from akohlmey/collected-small-changes
Collected small changes for stable release
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2019-05-31 13:05:21 -04:00 |
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311aebf7ff
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Update Errors_warnings.txt
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2019-05-30 23:30:35 -06:00 |
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