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d88cf587b2
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add pair style coul/cut/global and fix restart/data bugs in coul/cut
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2021-04-10 00:25:00 -04:00 |
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ec6e2d35cb
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complete update of the hybrid documentation for hybrid/scaled
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2021-04-09 22:50:51 -04:00 |
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0628bb89ce
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Merge branch 'master' into pair-hybrid-scaled
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2021-04-09 22:21:16 -04:00 |
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eb3cddb028
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Update docs to include format support in dump local variants
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2021-04-09 15:46:18 -04:00 |
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e0e031aa43
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Correct dump_modify example in docs
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2021-04-09 13:38:18 -04:00 |
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f2039b5667
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add hybrid/scaled pair style to summary tables
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2021-04-09 00:36:29 -04:00 |
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8ed6d80b85
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first working version, forces only, no restart
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2021-04-08 21:25:38 -04:00 |
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0aee75857a
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Eliminated doc build warnings
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2021-04-08 14:09:19 -06:00 |
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a39dc9f9b2
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Added minimal info on downloading and building PACE library
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2021-04-08 13:36:04 -06:00 |
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ac5bd8a4f7
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correct the description of how the F dot r contributions are computed
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2021-04-08 08:44:18 -04:00 |
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d54384dd91
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Merge branch 'master' into multi_epcc
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2021-04-07 16:34:01 -06:00 |
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084c0713d6
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resolve whitespace issues
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2021-04-07 18:05:00 -04:00 |
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0496626533
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Merge branch 'master' into feature/user-pace
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2021-04-07 16:26:26 -04:00 |
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6569c2e434
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Merge pull request #2694 from akohlmey/neighlist-interface-updates
Neighbor list library/python interface improvements
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2021-04-07 16:25:38 -04:00 |
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feda2dc08d
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Updated doc page and spelling
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2021-04-07 14:07:58 -06:00 |
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ea8277ce87
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whitespace fixes
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2021-04-07 14:59:33 -04:00 |
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0d1ccbe1b5
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Move A.Thomson's modifications on doc and examples in:
- doc/src/.rst
- examples/USER/pace
- potentials
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2021-04-07 12:43:28 +02:00 |
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6294a7c0dd
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Merge branch 'master' into gran_attractive
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2021-04-06 13:11:37 -06:00 |
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80a65150c2
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Patching uninitialized values, replacing lines in documentation
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2021-04-06 13:09:46 -06:00 |
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00e4bdb2b7
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Merge pull request #2692 from arghdos/master
Porting to new default platform for AMD/HIP in ROCm 4.1
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2021-04-06 14:39:30 -04:00 |
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ac0fa51b0b
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Merge branch 'master' into gran_attractive
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2021-04-06 08:40:56 -06:00 |
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fc6e10921d
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add post yes/no keyword to rerun commmand (with default to no)
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2021-04-05 15:38:59 -04:00 |
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f323fb29b3
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Reverting no_attraction option in wall gran region docu
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2021-04-05 11:53:49 -06:00 |
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6bdf0138ac
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Typos in documentation
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2021-04-05 11:50:53 -06:00 |
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5e0b017d30
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update information about adding unit tests to reflect recent changes
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2021-04-04 20:51:58 -04:00 |
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b2e9ffa673
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add missing entry to standard packages list
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2021-04-03 11:15:00 -04:00 |
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17355f967a
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address spelling and manual processing issues
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2021-04-03 11:11:18 -04:00 |
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a4a23f3ef1
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add an example for looking up and looping over a neighbor list
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2021-04-03 11:04:24 -04:00 |
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50b789cc36
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Merge branch 'master' into neighlist-interface-updates
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2021-04-03 10:18:28 -04:00 |
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b1faf17eeb
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Updates fix wall/gran to mirror recent updates to pair granular. Also some minor changes related to the limit_damping option
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2021-04-03 00:48:00 -06:00 |
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7e70def4cc
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fix errors/typos in manual
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2021-04-02 21:00:42 -04:00 |
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66e885b6e5
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Merge branch 'master' into collected-small-changes
# Conflicts:
# src/USER-YAFF/pair_lj_switch3_coulgauss_long.cpp
# src/USER-YAFF/pair_mm3_switch3_coulgauss_long.cpp
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2021-04-02 17:57:54 -04:00 |
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b976c2d13c
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Merge pull request #2679 from akohlmey/more-unittests
Expand unit tests
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2021-04-02 17:51:29 -04:00 |
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1c43b4a4c3
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Merge branch 'fix_ave_chunk_cdof_bug' into collected-small-changes
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2021-04-02 17:50:33 -04:00 |
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90ab63f9ad
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Merge branch 'master' into collected-small-changes
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2021-04-02 17:49:27 -04:00 |
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af6452065f
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correct URL to XTC file format docs on the gromacs homepage
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2021-04-02 16:48:13 -04:00 |
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7995fd8923
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Merge pull request #2689 from bhanudaysharma/patch-1
Update units.rst (documentation for units commands)
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2021-04-02 16:09:56 -04:00 |
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c62b1b1050
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Merge remote-tracking branch 'github/master' into collected-small-changes
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2021-04-02 16:08:51 -04:00 |
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e613da98d6
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Merge pull request #2650 from akohlmey/plugin-loader
New PLUGIN package with a LAMMPS plugin loader command
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2021-04-02 15:08:44 -04:00 |
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d24f74b582
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add stop on file example to fix halt docs
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2021-04-02 12:31:46 -04:00 |
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2dfafe4adb
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add is_file() special variable function and unit tests for it
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2021-04-02 12:07:43 -04:00 |
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b5ef98cc22
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consolidate the documentation for lj/switch3/coulgauss/long and mm3/switch3/coulgauss/long into a single file
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2021-04-01 12:42:07 -04:00 |
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3668ce1374
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Merge branch 'master' into more-unittests
# Conflicts:
# unittest/testing/core.h
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2021-04-01 11:11:18 -04:00 |
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4c2fb7a431
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Porting to new default platform for AMD/HIP in ROCm 4.1
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2021-04-01 09:43:13 -05:00 |
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0b60650c1b
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Merge branch 'master' into collected-small-changes
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2021-04-01 10:11:59 -04:00 |
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21c934d2cd
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Merge pull request #2682 from rbberger/python_unittests
Python package unit tests
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2021-04-01 10:11:26 -04:00 |
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f867e69290
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include new split_lines() function in Developer docs
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2021-04-01 09:35:52 -04:00 |
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8b37f3c044
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Fixing incorrect arg for pair gran
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2021-03-31 17:25:41 -06:00 |
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d36894ccf5
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Adding pertype flag to pair granular
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2021-03-30 22:16:47 -06:00 |
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7e0d44e0ca
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Adding no_attraction flag to granular pair and wall styles
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2021-03-30 20:51:23 -06:00 |
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