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aa2b885783
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Merge pull request #1687 from akohlmey/next_patch_release
Step version string for next patch release
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2019-09-19 17:18:12 -04:00 |
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6f06b3ecf1
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Merge pull request #1645 from jrgissing/bond/react-max_rxn-bug
Bond/react: max_rxn bugfix + restart reaction counts
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2019-09-19 15:21:40 -04:00 |
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12071eec1a
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Merge pull request #1683 from wmbrownIntel/user-intel-g2s
USER-INTEL: Explictly disabling G2S opts to improve lj/cut, eam, and …
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2019-09-19 13:48:05 -04:00 |
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5c74782c84
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step version for next patch release
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2019-09-19 11:54:24 -04:00 |
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b0b340051c
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Merge pull request #1684 from akohlmey/cxx-11-test
Implement test for C++11 and document it
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2019-09-19 11:46:08 -04:00 |
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ed6dd1a632
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Merge pull request #1666 from tanmoy7989/local_density
added LD potential and wrote html-style doc
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2019-09-19 11:45:46 -04:00 |
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d4dbc32ba2
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Merge pull request #1672 from akohlmey/dump-with-unit
Add ITEM: UNITS line to native text format dumps
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2019-09-19 10:31:13 -04:00 |
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b049b59015
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revised documentation and added a citation trigger in .cpp file
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2019-09-19 00:25:22 -07:00 |
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5dba4b66c8
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add warning banner to the LAMMPS output and refer to the C++11 issue on github
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2019-09-18 16:56:14 -04:00 |
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2ea11b3195
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implement test for C++11 and document it
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2019-09-18 15:50:26 -04:00 |
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df3fad3b49
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output number of processors when reporting a mismatch on reading a restart
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2019-09-18 14:35:12 -04:00 |
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5cf0a5bf6d
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USER-INTEL: Reverting whitespace in Makefiles from last changes.
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2019-09-17 09:31:51 -07:00 |
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22f0ca7440
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Merge branch 'master' into user-intel-g2s
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2019-09-17 19:30:11 -07:00 |
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7f037b6c30
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some more whitespace cleanup
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2019-09-17 12:05:04 -04:00 |
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27f9ae1017
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evil tab removal
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2019-09-17 08:37:32 -04:00 |
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b2c6244b79
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fix typos
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2019-09-17 08:24:40 -04:00 |
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66ddcd86a3
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USER-INTEL: Explictly disabling G2S opts to improve lj/cut, eam, and dpd performance. Removing -fno-alias flag from Makefiles due to issues with 2019 compilers and adding explicit _noalias qualifier for some variables to compensate.
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2019-09-17 02:50:37 -07:00 |
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f81c1aae26
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Merge branch 'master' into hybrid-svector-fix
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2019-09-16 22:28:48 -04:00 |
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c1e7294b42
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Merge branch 'master' into kk_ports
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2019-09-13 12:30:53 -04:00 |
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e8f94447f7
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Merge branch 'master' into hybrid-svector-fix
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2019-09-13 12:28:45 -04:00 |
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ca301f040b
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add missing include for compiling with intel compilers without TBB
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2019-09-13 09:47:02 -04:00 |
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548fd40e9a
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make certain that nvalues class member is initialized
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2019-09-13 09:15:39 -04:00 |
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be0587eab5
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Merge pull request #1670 from akohlmey/fix-rigid-nh-no-extended
Consolidate constants and enumerators across rigid fix styles
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2019-09-13 08:04:16 -04:00 |
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be38ef0eb0
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make native dump reader compatible with dump files containing ITEM: UNITS
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2019-09-12 15:26:02 -04:00 |
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b9af05d7f4
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add dump style local/gz to COMPRESS packages
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2019-09-12 14:38:09 -04:00 |
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e413aaf217
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add support for optionally including unit information in standard dump files
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2019-09-12 14:37:42 -04:00 |
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1e0cd0b202
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separate out svector handling to new virtual functions, so it can be handled differently for pair styles hybrid and hybrid/overlay
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2019-09-12 12:30:22 -04:00 |
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ce7c3e6864
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Merge pull request #1648 from athomps/add_w_l_orientorder
Add w l orientorder
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2019-09-11 14:08:33 -04:00 |
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df63a53788
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Merge pull request #1650 from stanmoore1/kk_minimize
Add Kokkos version of minimize
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2019-09-11 14:04:47 -04:00 |
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102db258bc
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Merge pull request #1667 from edwardsmith999/master
Adjusted compute_bond_local to allow components of force to be obtained.
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2019-09-11 14:02:09 -04:00 |
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34f73fddfe
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Added a missing break statement in fz component
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2019-09-11 11:59:59 +01:00 |
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15d2e1b260
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consistent formatting
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2019-09-10 09:36:17 -04:00 |
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cd846e1bbb
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add ITEM: UNITS line to native text format dumps
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2019-09-10 09:18:38 -04:00 |
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f34f133f7d
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bugfix for pair style lubricate when used with walls
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2019-09-09 18:03:43 -04:00 |
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493f1cf65b
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correct overlapping definitions of bitmask flags
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2019-09-09 15:33:56 -04:00 |
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345d6cc7fe
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Compute pe doesn't touch atom data
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2019-09-09 12:29:46 -06:00 |
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fb0dee49a2
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Small changes to base dihedral_harmonic class
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2019-09-09 12:06:52 -06:00 |
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c36c4d50cc
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Add Kokkos verison of dihedral_harmonic
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2019-09-09 11:16:31 -06:00 |
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51786a459f
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Add support for HPE MPI to Kokkos package
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2019-09-09 10:14:30 -06:00 |
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b08b3b90da
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Adjusted compute_bond_local to allow components of force to be obtained
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2019-09-09 14:43:34 +01:00 |
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8c113f5fdb
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added LD potential and wrote html-style doc
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2019-09-09 01:51:04 -07:00 |
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2e0fcac744
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bond/react: define MAXLINE take 2
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2019-09-08 21:11:24 -06:00 |
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0235b1a286
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bond/react: move MAXLINE to header
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2019-09-06 00:18:24 -06:00 |
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bb0225c02e
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clear svector for every invocation. document changes
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2019-09-05 14:29:10 -04:00 |
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cfd72aacce
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Merge pull request #1653 from cjknight/make_theta
Cleaning Theta Makefile
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2019-09-05 14:14:35 -04:00 |
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41d9dbff33
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append all svector entries instead of copying over each other
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2019-09-05 14:08:26 -04:00 |
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4a9ca6eca2
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Merge pull request #1661 from wmbrownIntel/user-intel-make-update
USER-INTEL: Adding explicit include path for MKL and updating benchma…
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2019-09-05 14:02:49 -04:00 |
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cffe43c96c
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bugfix for copying svector data with hybrid pair styles
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2019-09-05 12:11:32 -04:00 |
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1e3938835b
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consolidate rigid fix constants and enumerators into a single header and namespace
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2019-09-05 11:32:13 -04:00 |
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fc50ae5951
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clean up description
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2019-09-04 16:11:19 -05:00 |
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