00be75e084
update example inputs and logs for change in ReaxFF required name
2023-11-30 10:31:08 -05:00
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
6f343aaeed
add UNITS keyword comments to fix qeq parameter files
2021-04-18 04:02:18 -04:00
1225f7d1e0
small changes to examples scripts for regression purposes
2020-05-06 15:28:27 -06:00
4b8c6d40e2
update log files for qeq and rdf-adf examples
2018-11-29 15:15:14 -05:00
493873fb93
clean up doc src
2016-10-06 13:00:46 -06:00
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
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
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
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
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
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
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
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
