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91a8df1903
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Modified files according to request
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2020-07-06 20:20:28 +01:00 |
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836570ec26
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update docs
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2020-07-06 14:12:37 -04:00 |
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58cd6a160c
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Merge branch 'master' into reset-molecules
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2020-07-06 14:07:48 -04:00 |
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a1011b606e
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new reset_mol_ids command
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2020-07-06 10:50:34 -06:00 |
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2977a8aa15
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Merge pull request #2211 from athomps/compute-mliap
Add compute style mliap to MLIAP package
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2020-07-06 12:47:41 -04:00 |
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d768069cfe
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Merge pull request #2205 from akohlmey/collected-small-changes
Collected small changes for the next patch release
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2020-07-06 12:46:16 -04:00 |
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5d0800beef
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Merge pull request #2204 from rbberger/doc-changes
Documentation Changes: split pair_lj.rst
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2020-07-06 12:19:06 -04:00 |
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47d77530e2
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updated as requested by @sjplimp
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2020-07-06 11:45:16 -04:00 |
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022252dde0
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add a paragraph to the output howto explaining how ambiguity is resolved
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2020-07-06 11:13:23 -04:00 |
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14321d1fa0
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add option to compute chunk/atom to access the number of chunks as a global scalar
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2020-07-03 22:19:44 -04:00 |
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c3f8644613
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Merge branch 'master' into compute-mliap
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2020-07-03 14:26:38 -06:00 |
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feec9673d8
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Fixed html and spelling warnings
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2020-07-03 14:03:00 -06:00 |
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9d0aee7426
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Added doc page for compute mliap and updated examples
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2020-07-03 13:43:51 -06:00 |
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def0cf8a7b
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Corrected typo
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2020-07-03 17:54:31 +01:00 |
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59aa8a5e12
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Modified files according to PR
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2020-07-03 17:48:49 +01:00 |
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543371374a
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typo fix
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2020-07-03 11:42:31 -04:00 |
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ab785e8a89
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Add Coulomb sections in TIP4P page
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2020-07-03 11:37:11 -04:00 |
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52b92e743e
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Add missing reference
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2020-07-03 11:33:51 -04:00 |
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089c4ed5d9
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Added fix/bond/create/angle class and docu
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2020-07-03 09:21:00 +01:00 |
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28bbb6afbc
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Doc page for compute mliap
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2020-07-02 17:09:10 -06:00 |
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4660c043d8
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fix typo
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2020-07-02 13:31:02 -04:00 |
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70d3d56944
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add minimal doc page for compute smd/ulsph/effm
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2020-07-01 18:44:24 -04:00 |
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ed56878271
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remove specific dump styles from overview page
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2020-07-01 18:43:53 -04:00 |
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791bb9f6d5
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Update mentions of soft variants
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2020-07-01 17:14:30 -04:00 |
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7671d12ef8
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added some more detail to the bond special doc page
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2020-07-01 14:55:48 -06:00 |
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0a18c52414
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Split pair_lj.rst into three files
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2020-07-01 14:27:06 -04:00 |
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6af407d01e
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remove trailing whitespace
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2020-06-30 17:48:18 -04:00 |
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435ac9078b
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add unit conversion to pair styles eim, gw, gw/zbl, and nb3b/harmonic
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2020-06-28 16:49:23 -04:00 |
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a6cd4a935e
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Replace accumulated displacement by accumulated force for tangential force in styles mindlin and mindlin_rescale. Change documentation accordingly
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2020-06-27 01:17:46 -05:00 |
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b75d9b8224
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bond/react: RMSD constraint docs
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2020-06-26 23:43:08 -06:00 |
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66271448ae
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Merge pull request #2167 from Vsevak/master
Update GPU CMake and Makefile scripts for ROCm v3.5
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2020-06-26 13:43:32 -04:00 |
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d926274911
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Merge branch 'qtb_example' of github.com:stanmoore1/lammps into pair-potential-file-unit-convert
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2020-06-25 17:06:38 -04:00 |
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d9f07cef25
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document automatic unit conversion with units and pair_coeff commands
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2020-06-25 16:05:20 -04:00 |
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3bb3037b55
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fix typo
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2020-06-25 07:59:40 -04:00 |
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85097df2ba
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add unit conversion to pair style tersoff/mod and tersoff/mod/c
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2020-06-24 21:23:40 -04:00 |
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db4cb2cb4f
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Merge pull request #2097 from jibril-b-coulibaly/patch-1
Correct ghost atoms bug in fix adapt
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2020-06-24 20:31:58 -04:00 |
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a7d2b792a8
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Merge branch 'master' into test-updates
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2020-06-24 17:25:55 -04:00 |
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3525d1f104
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simplify suppression handling by creating a custom local file
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2020-06-24 13:35:36 -04:00 |
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57538fb91c
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add leak sanitizer option
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2020-06-24 13:34:47 -04:00 |
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f1532e6545
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fix a couple more spelling errors
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2020-06-24 10:12:54 -04:00 |
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63eab6e6d8
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Merge branch 'master' into patch-1
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2020-06-24 10:09:05 -04:00 |
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f719803e9a
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correct typos in fix_adapt documentation
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2020-06-23 16:17:59 -05:00 |
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47ebd8a3d9
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implement mass keyword to turn off/on change in rmass when diameter is changed
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2020-06-23 12:48:57 -05:00 |
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fc090c22f4
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fix typo
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2020-06-22 22:24:06 -04:00 |
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132afb32f4
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add note about dependency on SNAP in the MLIAP overview page
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2020-06-22 19:46:44 -04:00 |
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6e714fec42
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fix underline
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2020-06-22 13:40:30 -04:00 |
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1f3c3bfb3c
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snap is listed twice
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2020-06-22 13:30:54 -04:00 |
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8eb6c2e037
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Merge branch 'mliap' of github.com:athomps/lammps into mliap
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2020-06-22 11:40:22 -04:00 |
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743a14aea0
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Fixed incomplete documentation entries for mliap
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2020-06-22 09:35:16 -06:00 |
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233b56105a
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Merge branch 'master' into mliap
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2020-06-22 11:24:49 -04:00 |
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