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4a2ab6d2f3
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mods to fix adapt and doc pages for restarting
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2020-06-19 12:48:06 -06:00 |
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a6d2ae2ee0
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implement restart_reset flag for fixes in restart_global list
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2020-05-27 12:44:05 -05:00 |
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6d11515ad0
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scale factors in constructor only. Issue with successive fresh runs
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2020-05-22 14:35:32 -05:00 |
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1add74b8f7
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save diameter and charge scale for restart. Need a switch te default values to 1 during init
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2020-05-22 14:04:51 -05:00 |
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03419b398a
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scale diameter and charge incrementally without using fix store. Corrects bug of fix store array accessed out of bounds
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2020-05-19 18:28:18 -05:00 |
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e1362e9a61
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Correct ghost atom access out of bounds bug in fix adapt
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2020-05-19 16:55:25 -05:00 |
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e114d814f4
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add rmass_flag and rectify comments and indents
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2020-04-10 16:17:12 -05:00 |
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14bade977e
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implement diameter/disc option for 2d simulations
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2020-03-13 10:59:11 -05:00 |
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437055f913
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implement the scale keyword of fix adapt for diameter and charge
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2020-03-12 11:11:38 -05:00 |
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7967cb1133
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put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
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2019-07-03 06:16:16 -04:00 |
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31cbccda85
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continue cleaning up include file lists
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2019-06-29 09:37:44 -04:00 |
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61e9dc4c8d
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more accurate checking for styles using utils::strmatch() instead of strcmp() or strncmp()
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2019-06-07 07:14:57 -04:00 |
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e9bc939098
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Fix more unused parameter warnings (#1076)
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2018-08-23 12:22:44 -06:00 |
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3ba87e52e9
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fix/adapt wildcard bondtypes
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2018-05-25 21:18:11 -06:00 |
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e4071d7f46
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replace C-style include files with their C++ equivalents
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2018-04-27 18:00:24 -04:00 |
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59dbb49cf9
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remove trailing whitespace
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2018-03-16 12:37:27 -04:00 |
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ee862d8bf5
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replace leading tabs
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2018-03-16 12:34:33 -04:00 |
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4da8c1c4e2
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patch 11Apr17
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2017-04-11 09:00:37 -06:00 |
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874944f2ec
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Made fix adapt support bond harmonic.
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2017-04-04 19:37:17 -04:00 |
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28e86917a0
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Made fix adapt work with bond_harmonic.
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2017-04-04 12:35:26 -04:00 |
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35753b8f08
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add error location propagation to force->bounds() and force->boundsbig()
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2016-10-26 15:53:02 -04:00 |
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f718c54430
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sync with GH
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15634 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-09-23 21:04:56 +00:00 |
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26b9b955a9
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15611 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-09-20 18:04:18 +00:00 |
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958e3e6a80
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sync with Git
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15520 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-08-29 23:49:20 +00:00 |
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ea62766575
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14686 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-02-26 15:55:30 +00:00 |
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e4ea9c0658
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2016-02-17 15:56:48 +00:00 |
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4e199dd5bd
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14424 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-01-12 00:12:15 +00:00 |
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0939eb1ee9
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14372 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-12-15 22:30:45 +00:00 |
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354e20f431
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2015-10-30 20:04:06 +00:00 |
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e512ca27a7
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2015-10-21 23:14:00 +00:00 |
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3841dd58ca
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2015-08-21 22:55:12 +00:00 |
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86daf16069
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2015-01-28 15:55:56 +00:00 |
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2b939d80f1
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2015-01-20 15:01:45 +00:00 |
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1eb5be1591
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2015-01-19 22:14:11 +00:00 |
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c377d599d0
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2015-01-19 19:02:46 +00:00 |
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dd36721943
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2015-01-15 22:11:46 +00:00 |
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a9906d1023
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12631 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-10-10 14:46:01 +00:00 |
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e4abe8ee03
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2014-07-29 20:51:46 +00:00 |
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0d2f6d9db4
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2014-05-27 14:35:49 +00:00 |
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425fad8f71
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2014-05-09 15:27:08 +00:00 |
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320d269f42
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2014-05-07 16:30:05 +00:00 |
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1ba04dabf6
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2014-01-30 18:30:18 +00:00 |
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f6b6aeb0dc
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2013-07-25 22:31:49 +00:00 |
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28a774a70b
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2013-07-25 22:30:22 +00:00 |
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b0007d45b7
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2013-06-29 21:27:42 +00:00 |
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0fd35228c6
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2013-01-05 00:15:59 +00:00 |
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dba5a5ad3f
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Small changes to fix adapt for solid free energies
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9150 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-12-12 22:30:41 +00:00 |
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9316e35a98
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2012-09-20 15:51:16 +00:00 |
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ef9e700545
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2012-06-06 22:47:51 +00:00 |
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f884a7ec85
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2012-02-01 16:27:41 +00:00 |
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