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a1e8992eac
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replace non-ASCII characters
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2018-11-06 22:21:19 -05:00 |
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84fcf01bed
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bond/react: allow custom update of charges near template edges
also, fixes a bug introduced in PR #1189, when not using stabilization
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2018-11-06 19:59:22 -07:00 |
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4e6253254c
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Merge branch 'master' into user-cgdna
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2018-11-06 19:48:06 +00:00 |
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562296bdb7
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Updated link to preprint article
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2018-11-06 19:44:35 +00:00 |
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91c4ef6f64
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Merge pull request #1189 from jrgissing/bond/react-custom_group
Bond/react custom group support
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2018-11-06 10:32:06 -05:00 |
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29ae88e309
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Update docs for KIM
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2018-11-05 09:37:35 -06:00 |
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ab7aa9dfda
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correction to fix group property doc
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2018-11-05 00:49:33 -07:00 |
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f7aa01d74a
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bond/react: convert group-ID to group-ID-prefix
enables consistent syntax when using custom groups
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2018-11-03 11:57:46 -06:00 |
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b7e507a258
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fix typo and reformat
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2018-11-02 21:08:45 -04:00 |
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ea9746f26d
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insert fix plumed docs into manual generation
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2018-11-02 21:08:32 -04:00 |
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85a5cab663
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Update Colvars library to version 2018-10-16
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2018-11-02 17:45:20 -04:00 |
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b1c50e3bbe
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Added plumed documentation in a txt file
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2018-11-02 19:50:49 +00:00 |
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b0938b70d5
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Merge branch 'master' into kim-v2-update
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2018-11-01 19:41:13 -05:00 |
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b67e54dd7d
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reciprocal 'related commands'
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2018-11-01 01:09:52 -06:00 |
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5821a5ecc8
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bond/react: custom group with stabilization option
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2018-11-01 01:04:45 -06:00 |
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3faecc4d28
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add option to update all atoms' atomic charges
option to update all atomic charges, even when edge atoms are defined
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2018-10-30 22:11:52 -06:00 |
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1b98c0e40d
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Merge remote-tracking branch 'lammps/master' into kim-v2-update
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2018-10-30 18:40:55 -05:00 |
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ba6f6f73f1
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first commit: added SDPD
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2018-10-30 17:40:00 +03:30 |
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a2671f8943
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doc files for new parallel dump file read capability
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2018-10-26 18:06:34 -06:00 |
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4fa78a78de
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Added instructions on PLUMED to build extras and Package details pages of manual
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2018-10-26 22:12:17 +01:00 |
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ff9f836be4
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Merge remote-tracking branch 'upstream/master'
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2018-10-26 22:01:05 +01:00 |
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2c1f420a48
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more tweaks
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2018-10-24 13:43:26 -06:00 |
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07f92d225e
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formatting tweak
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2018-10-24 12:03:51 -06:00 |
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7e5ec96bcd
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more tweaks from style check script
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2018-10-24 12:02:36 -06:00 |
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c8870f1b78
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change intro to each list of commands
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2018-10-24 11:57:34 -06:00 |
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7069b52a44
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Merge pull request #1172 from akohlmey/next-patch-release
Patch release 24 October 2018
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2018-10-23 18:08:38 -04:00 |
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fccc26758b
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Merge pull request #1152 from lammps/doc-adjust2
More Documentation consistency improvements
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2018-10-23 13:05:04 -04:00 |
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0293dee9b2
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patch 24Oct2018
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2018-10-23 11:03:51 -04:00 |
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43f83abe5e
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Changes to the NH fix enabling Cauchy stress control (Cauhchystat) due to Miller, Tadmor, Gibson, Bernstein and Pavia, J Chem Phys,
144, 184107 (2016).
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2018-10-23 10:41:50 -04:00 |
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6107f00e9d
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Merge pull request #1164 from akohlmey/fix-halt-for-minimize
Enable use of fix halt for minimizations
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2018-10-23 10:35:26 -04:00 |
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aa27c8f733
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convert double quotes to latex style
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2018-10-23 09:17:00 -04:00 |
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8649081904
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fix broken links in manual
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2018-10-21 18:39:25 -04:00 |
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8223f5e0a3
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Eliminated another initialization error and tweaked rdf-adf example
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2018-10-20 16:46:45 -06:00 |
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fb6f019a11
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correct link to output options
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2018-10-20 06:45:57 -04:00 |
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79da210dc4
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integrate compute adf into manual build infrastructure
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2018-10-20 06:45:28 -04:00 |
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0783f8ad2f
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Added compute_rdf.txt
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2018-10-19 18:43:58 -06:00 |
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04a4a29fcf
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Creatd new compute ADF for angular distribution function
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2018-10-19 18:36:11 -06:00 |
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1c994bda46
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corrections to fix neb doc page
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2018-10-19 09:53:19 -06:00 |
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f5206d2f7b
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more one-liner in pair_style doc page
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2018-10-19 09:53:19 -06:00 |
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9bca5ae607
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added one-line pair descriptions
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2018-10-19 09:53:19 -06:00 |
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d1f260a765
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undo changes to PRD doc from another branch
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2018-10-19 09:53:19 -06:00 |
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36a1ca7e72
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updates some one-line style defs
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2018-10-19 09:53:19 -06:00 |
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5f1c77ced2
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tweaks to USER-PTM package doc
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2018-10-19 09:53:18 -06:00 |
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dc89bdd924
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more changes augmenting lists with USER styles and to core/shell doc pages
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2018-10-19 09:53:18 -06:00 |
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a979c6eeec
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updating files that have lists of command styles
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2018-10-19 09:53:18 -06:00 |
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cc6f1be82d
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first attempt to port fix halt to minimizations
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2018-10-19 07:26:49 -04:00 |
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d9dd80b368
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added -restart2dump command-line option
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2018-10-18 14:24:48 -06:00 |
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382e91cf5b
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Merge pull request #1156 from wmbrownIntel/user-intel-hybrid
Adding hybrid support to USER-INTEL package + EAM/intel bug fix
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2018-10-12 12:35:36 -04:00 |
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c37deebffa
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Adding full hybrid support to USER-INTEL package and fixing bug with EAM parameter initialization.
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2018-10-11 05:12:00 -07:00 |
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3d0722b974
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Merge branch 'master' of github.com:lammps/lammps into granular-kokkos
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2018-10-10 10:43:54 -06:00 |
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