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c98bb7fa5f
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Corrected minor bug in utility script
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2017-06-15 12:57:44 +01:00 |
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77ca68a2b4
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Changed affiliation
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2017-06-15 12:52:19 +01:00 |
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286d4f2743
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Merge pull request #506 from lammps/snap
SNAP changes by Aidan
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2017-05-30 13:32:00 -06:00 |
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952b18fc02
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Merge pull request #494 from rbberger/small_updates
Collection of minor updates
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2017-05-30 10:51:24 -06:00 |
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816fa93429
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Merge pull request #499 from akohlmey/add-fix-compute-style-bugfix
Fix bug where fix/compute style names were not correctly set with suffixes
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2017-05-30 10:49:27 -06:00 |
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f4f975edd6
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Merge pull request #495 from akohlmey/doc-fixes
Collected small updates and bugfixes
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2017-05-30 10:48:57 -06:00 |
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cff4e4a837
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Merge pull request #468 from andeplane/gcmc_fix_nlocal
Using correct value for atom->nlocal in translate/rotate in fix_gcmc.cpp
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2017-05-30 10:45:39 -06:00 |
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32db4660bd
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Merge pull request #460 from andeplane/gcmc_fix
Setting molecule COM to 0 after moving atoms
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2017-05-30 10:45:23 -06:00 |
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22fdb1fc14
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SNAP changes by Aidan
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2017-05-30 10:21:07 -06:00 |
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412cb8f089
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avoid hang in fix reax/c/species when multiple atoms have the exact same x-coordinate
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2017-05-30 08:15:55 -04:00 |
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092806ad4f
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no need for special whitespace handling in library interface
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2017-05-30 07:55:48 -04:00 |
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4ae314731d
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must not use strtok() in library function as it is not re-entrant and may be used inside LAMMPS commands
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2017-05-30 07:42:10 -04:00 |
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4b8d2e829c
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triclinic member variable is referenced in destructor and thus must be initialized in constructor
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2017-05-30 07:41:01 -04:00 |
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d93938f7e1
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displace_atom rotate needs to operate on unwrapped coordinates with image flags set to zero
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2017-05-29 16:57:35 -04:00 |
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c0339120d2
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add missing neighbor list class definitions to USER-OMP
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2017-05-26 21:28:41 -04:00 |
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5a23d2d1da
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fix bug in computing mixed EAM potentials introduced by TI modifications
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2017-05-26 20:28:45 -04:00 |
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de446ace2f
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Merge branch 'user-manifold-doc-fix' of https://github.com/Pakketeretet2/lammps into doc-fixes
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2017-05-26 18:44:29 -04:00 |
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2055110e05
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Fixed typo in dox.
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2017-05-26 17:38:21 -04:00 |
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5b1e582f03
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prevent segfault when defining pair_style comb3 without arguments
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2017-05-26 10:52:20 -04:00 |
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53e7fee5b7
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Merge branch 'doc-fixes' of github.com:akohlmey/lammps into doc-fixes
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2017-05-25 10:11:31 -04:00 |
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5291f2ed6e
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fix bug in fix shear/history reported by kevin hanley. see #500
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2017-05-25 10:11:24 -04:00 |
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99a68e487f
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fix suffix style handling bug for adding fixes and computes
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2017-05-25 02:01:04 -04:00 |
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88d4150d2b
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remove trailing whitespace
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2017-05-24 16:29:56 -04:00 |
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ead05f81c0
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Merge branch 'pair_morse_soft-doc-fix' of https://github.com/Pakketeretet2/lammps into doc-fixes
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2017-05-24 13:56:54 -04:00 |
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4f9e7cbd16
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Cleaned up docs for pair_mores, a missing :pre ruined formatting.
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2017-05-24 13:36:14 -04:00 |
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bdfb7c69ea
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Remove unused code detected by coverity CID 177700
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2017-05-22 17:51:40 -04:00 |
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084626e60b
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Fixes coverity issue CID 179426
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2017-05-22 17:36:16 -04:00 |
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a7d790a827
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Fixes coverity issue CID 179439
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2017-05-22 17:33:47 -04:00 |
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8a630ff4ec
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Fixes coverity issue CID 179440
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2017-05-22 17:32:07 -04:00 |
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617ca4e0c8
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Fixes coverity issue CID 179436
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2017-05-22 17:30:46 -04:00 |
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06a4f47a4c
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Merge remote-tracking branch 'upstream/master' into small_updates
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2017-05-22 17:14:29 -04:00 |
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4780d72809
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use '&&' and '||' instead of 'and' and 'or' operators for consistency
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2017-05-22 14:42:42 -04:00 |
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97d3c843c4
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small documentation fixes to fix typos and formatting issues
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2017-05-21 11:13:47 -04:00 |
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2225fce94e
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patch 19May17
patch_19May2017
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2017-05-19 07:35:36 -06:00 |
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9593e05c9e
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Force PDF documentation build to fail on first error
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2017-05-18 19:37:08 -04:00 |
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941b737319
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Merge pull request #493 from akohlmey/doc-and-example-fixes
Doc and example fixes
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2017-05-18 16:40:46 -06:00 |
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654e09e999
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correct input examples affected by the Pair::settings() bugfix
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2017-05-18 18:34:27 -04:00 |
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8751850eca
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a few formatting fixes for pair style python
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2017-05-18 18:34:03 -04:00 |
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0f88348917
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Merge pull request #492 from lammps/pre-patch
update docs before patch release
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2017-05-18 13:44:34 -06:00 |
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b28ecd44c2
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update docs before patch release
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2017-05-18 13:14:47 -06:00 |
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9db9fc9de3
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Merge pull request #491 from akohlmey/fix-bigint-thermo-in-variables-bug
convert bigint values for bonds/angles/dihedrals/impropers to doubles
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2017-05-18 13:08:42 -06:00 |
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6ac9b7a1b0
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Merge pull request #482 from akohlmey/add-pair-python
Add python pair style for implementing simple pairwise additive potentials in python
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2017-05-18 11:15:58 -06:00 |
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34dbf6b225
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do not compute properties twice
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2017-05-18 12:45:43 -04:00 |
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26d71b66e4
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convert bigint values for bonds/angles/dihedrals/impropers to doubles when evaluating those keywords in variable expressions
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2017-05-18 12:41:48 -04:00 |
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65eacb6b90
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Fix compilation warnings in fix_python
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2017-05-18 12:20:39 -04:00 |
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cb3344a337
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Merge pull request #489 from akohlmey/thread-safe-biasing
port thread-safe temperature biasing from LAMMPS-ICMS
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2017-05-18 09:15:07 -06:00 |
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5d38cbbce9
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Merge pull request #487 from akohlmey/pair_edip_multi_element
Import multi-element compatible pair style edip as edip/multi
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2017-05-18 09:13:30 -06:00 |
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30babd8157
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Merge pull request #485 from akohlmey/pair_settings_cut_bugfix
Bugfix for correct resetting of previously set cutoffs to various Pair::settings() functions
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2017-05-18 09:12:47 -06:00 |
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aa09f45b7e
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Merge pull request #484 from akohlmey/add-gao-weber-styles
Add Gao-Weber manybody styles
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2017-05-18 09:10:03 -06:00 |
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4b61cf6f52
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Merge pull request #483 from akohlmey/airebo-spline-bugfix-refactor
AIREBO spline code out-of-bounds and bondorder derivative bugfix and refactor
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2017-05-18 09:01:33 -06:00 |
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