Commit Graph

82 Commits

Author SHA1 Message Date
6e64ce7228 add Modify::replace_fix() convenience function 2020-11-01 16:05:41 -05:00
0183e999c9 consistently return "memory_usage" as double. 2020-09-15 01:59:58 -04:00
45f80f4f06 more include file updates found by iwyu 2020-09-02 22:52:22 -04:00
df29364be8 simplify find/delete fix/compute functions in modify.cpp 2020-06-28 18:39:19 -04:00
1ea0eca2a5 add convenience functions to modify to simplify creation of fixes and computes 2020-06-26 14:49:53 -04:00
d8ef5f6991 added internal fix dummy command to enable more control of fix ordering 2019-11-05 12:57:34 -07:00
4ec3a508fc bulk removal of #include <cstdio> from header files 2019-06-27 21:54:07 -04:00
b53df3dd63 disable optimization on functions building factories for many entries
this will speed up compilation and also avoid spurious warnings with gcc 4.4 and later
2019-06-06 20:37:17 -04:00
f2113ab04a update manual and headers for updated error message 2019-04-08 07:16:22 -04:00
e4071d7f46 replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
5221ac2d55 add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
01051e4cb1 refactoring of neighbor history 2017-10-10 16:53:51 -06:00
23e283f135 Fixed proper deletion of fixes if fix is NULL 2017-09-27 16:20:07 +02:00
90ca0852c7 use "body" list via Fix::extract() to correctly identify atoms in bodies 2017-06-05 15:48:23 -04:00
95d6f05a76 add 3 APIs to Modify for checking if atoms overlap with any rigid fixes 2017-06-05 12:41:37 -04:00
99a68e487f fix suffix style handling bug for adding fixes and computes 2017-05-25 02:01:04 -04:00
dcede304df changes for next patch, 2d disc options for spheres, fix external upgrade, bug fixes for fix ave/chunk for density calcs, Aidan doc page citation deconvolution 2017-03-21 08:56:37 -06:00
f6a819580c pair TIP4P bug fix for cutoffs >> box size 2017-01-06 09:57:27 -07:00
04f5eadcf1 added LAST option to dump_modify thresh, more restart info printed out to screen 2016-10-11 12:39:52 -06:00
b190abea39 sync with GH
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15561 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-09-08 20:20:32 +00:00
a6f62209af git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15336 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-07-16 22:14:50 +00:00
3f802d97c9 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15286 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-07-12 22:35:56 +00:00
d55f968432 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-06-17 23:48:15 +00:00
f7e17e97e8 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14379 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-12-17 15:46:12 +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
cee848f948 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14164 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-10-22 22:06:49 +00:00
448b9f66f0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14058 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-09-24 20:18:19 +00:00
269bff4b14 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13344 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-03-31 18:47:58 +00:00
bd37304ade git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13332 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-03-30 23:17:06 +00:00
84a5ec39ec git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-03-23 23:30:50 +00:00
4c2103f695 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13253 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-03-18 21:54:52 +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
10dfed77c9 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12316 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-08-14 20:07:39 +00:00
0f6eb0877e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12310 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-08-14 16:30:03 +00:00
fe1ade5fad git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12231 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-07-30 14:59:20 +00:00
45224e6d89 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11533 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-02-12 00:35:10 +00:00
cb7f385d43 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10310 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-07-23 19:01:37 +00:00
7a286596d8 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9416 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-02-08 21:38:50 +00:00
a62be73ba7 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9413 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-02-08 18:09:25 +00:00
da49b01f76 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9206 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-01-03 17:17:45 +00:00
06d12cd6ec git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8438 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-06-29 21:10:03 +00:00
a8af5ea42f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8306 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-06-18 23:03:41 +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
c27e7ac989 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8186 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-25 14:33:24 +00:00
f35d71d798 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8099 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-18 22:45:56 +00:00
4f48544d41 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7379 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-12-16 21:15:49 +00:00
891740f4a2 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7374 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-12-16 01:37:13 +00:00
ba299cf0eb git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6700 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-08-17 14:24:44 +00:00
e97e40698a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6209 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-05-23 14:04:44 +00:00
f4d2ebfb54 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6153 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-05-20 15:40:22 +00:00