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a4449fb6ff
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modified doc page, added examples
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2024-05-06 16:44:45 -06:00 |
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25a9bf1ff6
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Merge branch 'develop' into jake_replicate
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2024-04-22 16:10:42 -06:00 |
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d45a00031b
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update a couple more pending version strings
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2024-04-17 00:41:45 -04:00 |
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e80954a288
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Merge branch 'develop' into next_release
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2024-04-17 00:38:48 -04:00 |
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101a937870
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rephrase warning about EAM deansity exceeding tabulated embedding term
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2024-04-16 23:02:29 -04:00 |
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7f269c461e
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Merge branch 'collected-small-changes' of github.com:akohlmey/lammps into collected-small-changes
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2024-04-16 22:49:26 -04:00 |
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94a95b56e6
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Merge remote-tracking branch 'github/develop' into collected-small-changes
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2024-04-16 22:42:48 -04:00 |
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329d546eea
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Merge pull request #4078 from jmgoff/pace-mliap
Update ML-IAP for ACE support
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2024-04-16 22:42:17 -04:00 |
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27266e72c4
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Merge pull request #3984 from lammps/general-triclinic
Add suppport for general triclinic simulation boxes and systems
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2024-04-16 21:04:59 -04:00 |
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98eb345615
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small tweak
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2024-04-16 20:07:30 -04:00 |
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95e4364400
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breathe is currently not compatible with sphinx 7.3
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2024-04-16 19:59:30 -04:00 |
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fe57f880f0
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breathe is currently not compatible with sphinx 7.3
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2024-04-16 19:53:49 -04:00 |
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124516097c
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breathe is currently not compatible with sphinx 7.3
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2024-04-16 19:53:00 -04:00 |
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9aceecdfa4
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breathe is currently not compatible with sphinx 7.3
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2024-04-16 19:51:01 -04:00 |
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88f2ca643b
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update version tags for feature release
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2024-04-16 19:47:12 -04:00 |
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89d98786ec
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small doc formatting and spelling fixes
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2024-04-16 19:33:14 -04:00 |
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c855e44d0e
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small doc fixes
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2024-04-16 19:26:51 -04:00 |
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49b5361088
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Update labelmap.rst
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2024-04-16 00:24:25 -04:00 |
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a810f1eca8
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Update Howto_type_labels.rst
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2024-04-16 00:20:18 -04:00 |
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1924a06466
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Merge branch 'develop' into collected-small-changes
# Conflicts:
# python/lammps/pylammps.py
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2024-04-15 17:21:38 -04:00 |
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3a94e4df2d
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print single warning when some rho[i] exceeded rhomax of the current EAM potential
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2024-04-15 02:50:16 -04:00 |
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17d04ce41a
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Merge remote-tracking branch 'github/develop' into restricted-angle
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2024-04-13 02:45:53 -04:00 |
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95779b3504
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add versionadded tags
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2024-04-13 02:39:54 -04:00 |
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7f68620fa9
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add example with more compact initialization for scatter
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2024-04-12 23:46:35 -04:00 |
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f557dfdebb
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mention typelabel paper
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2024-04-11 23:36:11 -04:00 |
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9d3e9c6146
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whitespace
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2024-04-10 18:03:01 -04:00 |
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dbb23b6006
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Merge branch 'develop' into pedone-potentials
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2024-04-10 18:02:31 -04:00 |
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120b861f80
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correct typos and remove duplicate text
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2024-04-10 12:56:43 -06:00 |
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7a80a74791
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Merge branch 'develop' into jake_replicate
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2024-04-10 11:32:43 -06:00 |
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e180527f08
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fix typo
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2024-04-10 12:35:09 -04:00 |
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06d579eb51
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improve atomfile variable docs
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2024-04-10 06:29:10 -04:00 |
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e979e8dc01
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spelling add false positives
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2024-04-09 22:36:49 -04:00 |
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b4fa1b07e9
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add version tag
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2024-04-09 22:21:34 -04:00 |
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01917cd117
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add example for Ca-O with Pedone
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2024-04-09 22:08:30 -04:00 |
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7ac84e18dd
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remove references to non-existing pedone/coul/long, complete description
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2024-04-09 21:35:45 -04:00 |
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41591826fb
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update 2 doc pages for DIELECTRIC package
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2024-04-09 09:25:21 -06:00 |
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aeec608be6
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partial docs also for future pedone/coul/long implementation
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2024-04-09 09:13:23 -04:00 |
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21512df264
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update doc for dump_modify triclinic/general keyword
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2024-04-08 17:59:44 -06:00 |
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f1c2a22e2d
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more tweaks
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2024-04-08 16:25:17 -06:00 |
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e40a1527d3
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one more doc page
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2024-04-08 10:53:14 -06:00 |
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d1b571c8ed
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spell check
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2024-04-08 10:48:38 -06:00 |
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c2b91ccc8a
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better documention and error checking for 2d general triclinic
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2024-04-08 10:43:20 -06:00 |
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1a019889f2
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more doc page and thermo edge vector modifications
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2024-04-05 16:22:54 -06:00 |
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4a36053bbb
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Merge branch 'develop' into general-triclinic
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2024-04-05 15:50:55 -06:00 |
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7122a85c0b
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remove some debug info
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2024-04-05 15:43:54 -06:00 |
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d615d8053b
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support for general tri edge vectors in thermo output
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2024-04-05 14:31:53 -06:00 |
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905ceb98f1
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merge in current develop
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2024-04-05 09:36:29 -06:00 |
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1b71576b6f
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Update CMake and docs
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2024-04-05 09:09:44 -06:00 |
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972d412186
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flag false positives
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2024-04-03 20:53:44 -04:00 |
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ef3d255a4b
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Merge branch 'develop' into pace-mliap
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2024-04-03 20:49:29 -04:00 |
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