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9c8c04a7b4
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Merge branch 'develop' into cg-dna
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2024-06-20 02:44:29 -04:00 |
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71c5e04121
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Merge pull request #4179 from akohlmey/collected-small-changes
Collected small changes and fixes
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2024-06-19 17:39:57 -04:00 |
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cb0af02748
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Merge pull request #4193 from akohlmey/extra-command-package
Create new EXTRA-COMMAND package
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2024-06-19 15:06:20 -04:00 |
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ddec24308c
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small docs and spelling corrections and updates
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2024-06-19 15:04:14 -04:00 |
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778d11c79e
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Merge remote-tracking branch 'github/develop' into collected-small-changes
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2024-06-19 14:46:04 -04:00 |
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629a9cbe3d
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Merge pull request #4188 from Eddy-Barraud/dpd_charged
add pair styles dpd/coul/slater/long and dpd/coul/slater/long/gpu
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2024-06-19 13:50:46 -04:00 |
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ef902b03f9
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Merge branch 'develop' into collected-small-changes
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2024-06-19 12:02:56 -04:00 |
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4e0bf6137d
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Merge pull request #4110 from uf3/ml-uf3
Implementation of pair_style uf3 and uf3/kk
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2024-06-19 11:43:32 -04:00 |
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37572225f4
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Merge pull request #4191 from akohlmey/pair-hybrid-molecule
Add new pair style hybrid/molecular
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2024-06-19 00:49:37 -04:00 |
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b9f8a5b811
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Merge pull request #4184 from stanmoore1/pair_soft_kk
Add Kokkos version of `pair_style` soft
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2024-06-18 20:52:34 -04:00 |
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d54f38ff62
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whitespace
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2024-06-18 20:46:32 -04:00 |
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740b206e7f
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Tightened up the definitions of deltamu's and conc's
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2024-06-18 11:04:47 -06:00 |
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43cc8696dd
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mention that verlet/split is not available for TIP4P
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2024-06-18 08:46:18 -04:00 |
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318b43f358
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update group2ndx/ndx2group docs
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2024-06-17 15:02:43 -04:00 |
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e95598a716
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doc fixes
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2024-06-13 09:17:09 -04:00 |
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3865dda5a2
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integrate new doc file into manual
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2024-06-13 08:33:40 -04:00 |
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1b040d7108
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white space fix
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2024-06-13 13:49:18 +02:00 |
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8bbbe2dd6b
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Update pair_dpd_coul_slater_long.rst
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2024-06-13 11:43:57 +02:00 |
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67d86b559e
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Clarifying BPM logic and removing spelling errors in doc
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2024-06-12 14:44:13 -06:00 |
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610172b9dc
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Merge branch 'lammps:develop' into cg-dna
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2024-06-12 17:38:20 +01:00 |
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2434ad6574
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doc page
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2024-06-12 17:29:16 +02:00 |
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1a310f5729
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Limit CoeffRest gran damping to non-cohesive, prevent potential nans
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2024-06-11 17:03:15 -06:00 |
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5ff853ce67
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Merge branch 'develop' into small-patches
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2024-06-11 16:56:28 -06:00 |
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c190318649
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Small doc page clarifications
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2024-06-11 16:53:10 -06:00 |
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09bea938c5
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fix copy-n-paste error
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2024-06-10 14:26:32 -04:00 |
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d61c94c0f3
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move group2ndx and ndx2group to new EXTRA-COMMAND package. update docs.
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2024-06-10 14:14:36 -04:00 |
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fa8f73689e
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add /omp aliases to hybrid pair styles for consistency and added tests
without the aliases, the introspection check lead to skipping suitable tests
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2024-06-10 07:33:17 -04:00 |
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91b9308d4f
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initial version of pair style hybrid/molecular
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2024-06-09 07:02:18 -04:00 |
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69a31b7da7
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dependent python packages have caught up with changes in sphinx 7.3.7
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2024-06-09 04:12:51 -04:00 |
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5be5a53801
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correct documentation for added bond hybrid/kk
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2024-06-09 04:10:52 -04:00 |
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aaf5200316
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Merge branch 'develop' into collected-small-changes
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2024-06-06 02:17:50 -04:00 |
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7ef9a93a75
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Merge pull request #4167 from stanmoore1/kk_hybrid_topo
Port hybrid bond topology styles to Kokkos
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2024-06-05 09:44:54 -06:00 |
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c1c3f21b36
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Need to update index as well
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2024-06-05 09:05:13 -06:00 |
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777577b05e
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Update docs
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2024-06-05 09:00:01 -06:00 |
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ecdc1bc336
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Update docs
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2024-06-05 08:29:33 -06:00 |
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de988b271b
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Merge branch 'develop' into collected-small-changes
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2024-06-04 17:16:16 -04:00 |
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f5253eb926
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Merge pull request #4174 from akohlmey/atom-map-library-interface
Add support for extracting a few more properties and the Atom::map() function to the library interface
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2024-06-04 13:23:31 -06:00 |
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7258b2972a
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small LAMMPS-gui build documentation updates
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2024-06-02 04:39:08 -04:00 |
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10d09aca74
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apply corrections to i-PI package on PyPi
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2024-05-29 08:51:53 -04:00 |
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1a83fefc70
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add false positive
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2024-05-29 08:38:54 -04:00 |
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1697f2a465
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Merge branch 'develop' into remove-i-pi
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2024-05-29 08:36:01 -04:00 |
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1cf1f0daab
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update false positives
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2024-05-28 20:04:12 -04:00 |
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e6a3462018
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replace non-ASCII character
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2024-05-28 19:59:42 -04:00 |
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2d7515218c
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improve wording
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2024-05-28 19:55:59 -04:00 |
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e8ee0d9e71
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Merge pull request #4171 from akohlmey/sort-vector
Add special variable functions sort() and rsort() for sorting vectors by value
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2024-05-28 16:22:08 -06:00 |
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05ba777c0a
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Merge branch 'develop' into remove-i-pi
# Conflicts:
# doc/src/fix_ipi.rst
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2024-05-28 18:03:03 -04:00 |
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dedcfa157c
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Merge pull request #4157 from lab-cosmo/bugfix/ipi-neigh
Performance improvements for fix_ipi
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2024-05-28 15:06:15 -06:00 |
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017d69f0e1
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Removed whitespace
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2024-05-28 11:19:32 +01:00 |
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33351704a5
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Invisible mais penible
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2024-05-28 08:40:19 +02:00 |
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2afbf229ff
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mention the i-PI removal
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2024-05-27 19:00:38 -04:00 |
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