Commit Graph

13 Commits

Author SHA1 Message Date
Axel Kohlmeyer 799fb284c8
small updates to the QEQ package for better testing
- add a "warn no/yes" keyword/value pair to allow turning of the convergence warning
- add a scalar compute to retrieve the number of QEq itration from the fix
- update the buck example input to run all QEq methods from a common restart
- document changes
2021-04-20 14:00:51 -04:00
Axel Kohlmeyer 6f343aaeed
add UNITS keyword comments to fix qeq parameter files 2021-04-18 04:02:18 -04:00
Steve Plimpton 1225f7d1e0 small changes to examples scripts for regression purposes 2020-05-06 15:28:27 -06:00
Axel Kohlmeyer 4b8c6d40e2 update log files for qeq and rdf-adf examples 2018-11-29 15:15:14 -05:00
Steve Plimpton 493873fb93 clean up doc src 2016-10-06 13:00:46 -06:00
sjplimp bee7ffaee5 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14610 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-02-15 18:06:11 +00:00
sjplimp b1922ae7ca git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14609 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-02-15 18:04:59 +00:00
sjplimp 29b4d60141 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14398 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-12-23 17:04:56 +00:00
sjplimp 1ec5dd602d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13559 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-07-08 22:23:13 +00:00
sjplimp 07f62aea1a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13471 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-05-15 19:36:25 +00:00
sjplimp 723da5079a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13470 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-05-15 19:27:25 +00:00
sjplimp dbb4fd7e75 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12520 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-09-18 14:39:58 +00:00
sjplimp 1b19868c97 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12439 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-09-08 16:10:03 +00:00