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f84ab6f26b
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clarify fix nve impact
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2021-07-04 19:21:09 -04:00 |
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4b42b51006
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fix broken links
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2021-07-03 16:23:55 -04:00 |
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b314c83266
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fix up mistyped package names
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2021-07-03 16:19:15 -04:00 |
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c61480eace
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fix indexing for pppm/disp/dielectric
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2021-07-03 16:12:52 -04:00 |
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da06535be5
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fix doc build warnings
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2021-07-03 16:06:43 -04:00 |
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de3ac9d440
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update for package rename in upstream
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2021-07-03 15:38:24 -04:00 |
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430e7e962f
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Merge branch 'master' into dielectric-updates
# Conflicts:
# src/DIELECTRIC/Install.sh
# src/DIELECTRIC/pppm_disp_dielectric.cpp
# src/DIELECTRIC/pppm_disp_dielectric.h
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2021-07-03 15:27:57 -04:00 |
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3b480397d1
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Merge pull request #2822 from akohlmey/next_patch_release
Step version strings for next patch release
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2021-07-02 17:08:28 -04:00 |
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bee95e41ae
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Added references to example input scripts to the doc pages
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2021-07-02 14:06:06 -05:00 |
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48d3acb52b
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Updated the doc pages for the /dielectric styles
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2021-07-02 13:45:08 -05:00 |
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34fa0da60e
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Merge branch 'master' into package-reorganization-step1
# Conflicts:
# doc/src/Packages_details.rst
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2021-07-02 13:24:49 -04:00 |
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411d1f1240
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move fix imd from USER-MISC to MISC
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2021-07-02 13:19:47 -04:00 |
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bf5934e581
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Merge pull request #2795 from jtclemm/fabric
Add fabric tensor compute
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2021-07-01 21:59:48 -04:00 |
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c495fdfdf3
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step version strings for next patch release
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2021-07-01 20:17:07 -04:00 |
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58196d57f1
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New package DPD-BASIC with pair styles dpd, dpd/tstat, dpd/ext, dpd/ext/tstat
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2021-07-01 00:51:55 -04:00 |
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88c8d1a3c6
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rename "minimal" preset to "basic"
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2021-06-30 20:39:17 -04:00 |
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e4bb7da69f
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small tweak
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2021-06-30 20:25:21 -04:00 |
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7ba9c22d2c
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update installation instructions and remove references to patches which we don't provide anymore
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2021-06-30 14:54:58 -04:00 |
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11328cbed2
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update package variables and implement minimal/most selection of packages
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2021-06-30 14:45:26 -04:00 |
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1c25caaa6e
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convert explicit tables of packages to simpler to maintain table from list constructs
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2021-06-30 14:40:20 -04:00 |
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4928bd8b3d
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Merge branch 'master' of github.com:lammps/lammps into kk_finalize
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2021-06-30 10:18:12 -06:00 |
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cc0d9f2be0
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recover building the manual
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2021-06-29 21:49:21 -04:00 |
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9d208c9ebd
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rename some examples folders
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2021-06-29 20:25:18 -04:00 |
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878795e64a
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bulk rename of remaining USER- packages
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2021-06-29 20:12:59 -04:00 |
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2d4bb8f38c
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rename USER-MESODPD and USER-SDPD to DPD-MESO and DPD-SMOOTH
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2021-06-29 19:45:38 -04:00 |
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8e185a1a12
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rename USER-DPD to DPD-REACT
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2021-06-29 19:41:23 -04:00 |
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6ceedb62be
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rename USER-REAXC to REAXFF
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2021-06-29 19:37:55 -04:00 |
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1dc25b0e10
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rename USER-OMP to OPENMP
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2021-06-29 17:48:22 -04:00 |
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c085e55695
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rename USER-SMD package to MACHDYN
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2021-06-29 17:19:39 -04:00 |
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8bf6805e1d
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rename USER-LB to LATBOLTZ
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2021-06-29 17:07:14 -04:00 |
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dc3efd17d2
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rename USER-MEAMC to MEAM and pair style meam/c to meam (keeping meam/c as an alias)
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2021-06-29 16:59:05 -04:00 |
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995195606e
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rename USER-RANN to ML-RANN
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2021-06-29 16:32:06 -04:00 |
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d52cd88492
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rename USER-QUIP to ML-QUIP
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2021-06-29 15:55:41 -04:00 |
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fd24820603
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rename USER-PACE to ML-PACE
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2021-06-29 15:45:50 -04:00 |
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031e537d3f
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rename USER-HDNNP to ML-HDNNP
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2021-06-29 15:38:45 -04:00 |
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efaec31a84
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rename USER-CGDNA and USER-CGSDK to CG-DNA and CG-SDK
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2021-06-29 15:28:27 -04:00 |
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9cb82f4033
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update docs for renames examples folders
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2021-06-29 11:31:57 -04:00 |
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e482502691
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rename SNAP package to ML-SNAP and fix up some remaining MLIAP to ML-IAP issues
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2021-06-29 11:06:59 -04:00 |
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eda2cd965e
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rename MLIAP package to ML-IAP
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2021-06-29 10:44:32 -04:00 |
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9a740a4a60
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add lammps_kokos_finalize() support to various LAMMPS wrappers and document
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2021-06-27 17:07:42 -04:00 |
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4a0750ade0
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correct documentation under restrictions for temp/csld and temp/csvr fixes
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2021-06-25 15:46:30 -04:00 |
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9fb7e25413
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correct escape
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2021-06-24 09:25:35 -04:00 |
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8a344918a9
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no escape needed
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2021-06-24 09:15:58 -04:00 |
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d5e5f590e8
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Updating documentation, adding compute scalar
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2021-06-22 14:14:25 -06:00 |
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f4de4902e2
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new compute dipole command
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2021-06-22 11:57:29 -04:00 |
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31011252e3
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reformat, mention compute dipole
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2021-06-22 11:57:08 -04:00 |
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60e1c2be6d
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fix formatting and spelling
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2021-06-22 11:56:46 -04:00 |
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ddc596170e
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Merge pull request #2803 from akohlmey/collected-small-changes
Collected small changes
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2021-06-21 12:59:16 -04:00 |
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f59273fb09
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Merge pull request #2796 from macstein/mliap_so3_ver2
Add support for SO3 descriptor to MLIAP package
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2021-06-21 11:03:11 -04:00 |
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72221238d6
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correct indentation
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2021-06-21 09:45:35 -04:00 |
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