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85ba1e9e3b
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Fix documentation build by adding explicit dependency to six
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2021-04-30 12:27:21 -04:00 |
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25c0bb7a31
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Merge branch 'master' into examples
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2021-04-22 18:08:32 +02:00 |
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7e2d40c5fa
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Merge pull request #2642 from rbberger/balance_tests
MPI balancing testing
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2021-04-21 16:00:01 -04:00 |
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a64a7d5096
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Merge pull request #2714 from julient31/STT2
Improvement of the SPIN package by removing a limitation
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2021-04-21 14:55:17 -04:00 |
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b1dd616a2f
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correcting a small typo in the checks, and adding a note in the
documentation of fix precession/spin about the error if a (0,0,0) vector
is given as an input.
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2021-04-21 07:43:00 -06:00 |
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58549fa10d
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Merge branch 'clean-master2' of github.com:julient31/lammps into STT2
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2021-04-19 17:32:16 -06:00 |
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10ea64fb0c
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Improving the doc for the STT term
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2021-04-19 17:25:14 -06:00 |
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f2096ded96
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- improved design of test_problem
- cleaned up langevin/spin
- started doc for stt and hexaniso
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2021-04-19 17:09:53 -06:00 |
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58292e5c51
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Merge branch 'master' into examples
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2021-04-19 19:31:42 +02:00 |
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cf62dbf96a
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In manual pages point to examples
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2021-04-19 18:23:33 +02:00 |
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1ad45d65d6
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document limitation of not using GPU pair styles as the same style multiple times with hybrid
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2021-04-19 08:09:02 -04:00 |
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668b74bc09
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Merge branch 'master' into spin-kokkos
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2021-04-16 17:08:38 -04:00 |
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4ed57cb757
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Merge pull request #2705 from akohlmey/collected-small-changes
Collected small changes and fixes
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2021-04-16 17:07:39 -04:00 |
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75579fc100
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take advantage of having the common Command base class to unify code paths
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2021-04-14 07:05:00 -04:00 |
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81578d9934
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update docs for change in class topology
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2021-04-13 17:47:21 -04:00 |
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d8c68dec6f
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whitespace fixes
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2021-04-12 23:32:26 -04:00 |
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014875fb1e
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Merge branch 'master' into collected-small-changes
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2021-04-12 23:28:43 -04:00 |
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f07fa3d266
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Merge pull request #2704 from rbberger/compress_package
More refactoring of COMPRESS package
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2021-04-12 23:01:35 -04:00 |
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9bc353e5bd
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Merge pull request #2585 from tc387/charge_regulation2
Add fix charge/regulation to MC package
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2021-04-12 18:49:03 -04:00 |
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0ca9f2e8a0
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Merge pull request #2699 from yury-lysogorskiy/feature/user-pace
USER-PACE pair_style integration into LAMMPS
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2021-04-12 17:05:40 -04:00 |
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bdfa45376d
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Merge branch 'master' into collected-small-changes
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2021-04-12 14:59:42 -04:00 |
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04248c2ccd
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finalize CMake build docs
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2021-04-12 14:52:35 -04:00 |
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3925bcc1de
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apply requested changes do pair style hybrid doc
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2021-04-12 13:41:38 -04:00 |
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9658b8e645
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move fix charge/regulation to MC package (examples stay in place for now)
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2021-04-12 10:05:52 -04:00 |
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bc25fa8268
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full integration into documentation build system
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2021-04-12 09:59:02 -04:00 |
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e95cbf618b
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Merge branch 'master' into charge_regulation2
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2021-04-12 09:55:15 -04:00 |
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39a00e2901
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reformat
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2021-04-11 06:03:46 -04:00 |
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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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c9742056d8
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Merge pull request #2701 from akohlmey/next_lammps_version
Step version strings for next patch release
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2021-04-07 19:39:52 -04:00 |
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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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5bc630f008
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step version strings for next patch release
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2021-04-07 15:07:06 -04:00 |
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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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