Commit Graph

66 Commits

Author SHA1 Message Date
4a2ab6d2f3 mods to fix adapt and doc pages for restarting 2020-06-19 12:48:06 -06:00
a6d2ae2ee0 implement restart_reset flag for fixes in restart_global list 2020-05-27 12:44:05 -05:00
6d11515ad0 scale factors in constructor only. Issue with successive fresh runs 2020-05-22 14:35:32 -05:00
1add74b8f7 save diameter and charge scale for restart. Need a switch te default values to 1 during init 2020-05-22 14:04:51 -05:00
03419b398a scale diameter and charge incrementally without using fix store. Corrects bug of fix store array accessed out of bounds 2020-05-19 18:28:18 -05:00
e1362e9a61 Correct ghost atom access out of bounds bug in fix adapt 2020-05-19 16:55:25 -05:00
e114d814f4 add rmass_flag and rectify comments and indents 2020-04-10 16:17:12 -05:00
14bade977e implement diameter/disc option for 2d simulations 2020-03-13 10:59:11 -05:00
437055f913 implement the scale keyword of fix adapt for diameter and charge 2020-03-12 11:11:38 -05:00
7967cb1133 put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI 2019-07-03 06:16:16 -04:00
31cbccda85 continue cleaning up include file lists 2019-06-29 09:37:44 -04:00
61e9dc4c8d more accurate checking for styles using utils::strmatch() instead of strcmp() or strncmp() 2019-06-07 07:14:57 -04:00
e9bc939098 Fix more unused parameter warnings (#1076) 2018-08-23 12:22:44 -06:00
3ba87e52e9 fix/adapt wildcard bondtypes 2018-05-25 21:18:11 -06:00
e4071d7f46 replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
59dbb49cf9 remove trailing whitespace 2018-03-16 12:37:27 -04:00
ee862d8bf5 replace leading tabs 2018-03-16 12:34:33 -04:00
4da8c1c4e2 patch 11Apr17 2017-04-11 09:00:37 -06:00
874944f2ec Made fix adapt support bond harmonic. 2017-04-04 19:37:17 -04:00
28e86917a0 Made fix adapt work with bond_harmonic. 2017-04-04 12:35:26 -04:00
35753b8f08 add error location propagation to force->bounds() and force->boundsbig() 2016-10-26 15:53:02 -04:00
f718c54430 sync with GH
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15634 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-09-23 21:04:56 +00:00
26b9b955a9 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15611 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-09-20 18:04:18 +00:00
958e3e6a80 sync with Git
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15520 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-08-29 23:49:20 +00:00
ea62766575 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14686 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-02-26 15:55:30 +00:00
e4ea9c0658 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14655 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-02-17 15:56:48 +00:00
4e199dd5bd git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14424 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-01-12 00:12:15 +00:00
0939eb1ee9 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14372 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-12-15 22:30:45 +00:00
354e20f431 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-10-30 20:04:06 +00:00
e512ca27a7 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14158 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-10-21 23:14:00 +00:00
3841dd58ca git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13931 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-08-21 22:55:12 +00:00
86daf16069 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12996 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-01-28 15:55:56 +00:00
2b939d80f1 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12961 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-01-20 15:01:45 +00:00
1eb5be1591 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12950 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-01-19 22:14:11 +00:00
c377d599d0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12947 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-01-19 19:02:46 +00:00
dd36721943 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12943 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-01-15 22:11:46 +00:00
a9906d1023 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12631 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-10-10 14:46:01 +00:00
e4abe8ee03 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12222 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-07-29 20:51:46 +00:00
0d2f6d9db4 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12030 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-05-27 14:35:49 +00:00
425fad8f71 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11952 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-05-09 15:27:08 +00:00
320d269f42 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11939 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-05-07 16:30:05 +00:00
1ba04dabf6 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11393 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-01-30 18:30:18 +00:00
f6b6aeb0dc git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10369 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-07-25 22:31:49 +00:00
28a774a70b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10367 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-07-25 22:30:22 +00:00
b0007d45b7 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10199 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-06-29 21:27:42 +00:00
0fd35228c6 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9234 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-01-05 00:15:59 +00:00
dba5a5ad3f 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
2012-12-12 22:30:41 +00:00
9316e35a98 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8803 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-09-20 15:51:16 +00:00
ef9e700545 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-06-06 22:47:51 +00:00
f884a7ec85 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7647 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-02-01 16:27:41 +00:00