|
|
aa1ce09b12
|
more cleanup, checks and generalization of QEQ parameter file parsing
|
2017-08-18 20:03:47 -04:00 |
|
|
|
44ccdb86df
|
add checks when reading QEQ parameter file to avoid segfaults and memory corruption on incorrect files
|
2017-08-18 19:24:39 -04:00 |
|
|
|
7f9a331c73
|
bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue
|
2017-05-16 15:51:41 -06:00 |
|
|
|
f6a819580c
|
pair TIP4P bug fix for cutoffs >> box size
|
2017-01-06 09:57:27 -07:00 |
|
|
|
db0524278a
|
Initializing pointers in PERI, QEQ and REPLICA
|
2016-11-07 19:58:27 +01:00 |
|
|
|
8c04540e8a
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15368 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-07-25 19:55:01 +00:00 |
|
|
|
eb8fdc4ab6
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14831 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-04-15 16:08:22 +00:00 |
|
|
|
f6f88c2f28
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14455 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-01-15 19:40:18 +00:00 |
|
|
|
10c246dddb
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14400 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-12-23 17:21:36 +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 |
|
|
|
bb6d9e903b
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13130 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-02-19 23:26:10 +00:00 |
|
|
|
00834f6d84
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13127 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-02-19 18:23:31 +00:00 |
|
|
|
dc2d3afff5
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13011 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-01-30 22:22:31 +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 |
|
|
|
f51b6d103b
|
Restoring qeq files
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12749 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-11-19 22:43:21 +00:00 |
|
|
|
7eca5edcae
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12743 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-11-19 19:51:53 +00:00 |
|
|
|
2d840c556b
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12742 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-11-19 19:41:23 +00:00 |
|
|
|
4ffd3808e0
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12639 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 16:36:14 +00:00 |
|
|
|
166a9c5bc7
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12621 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-07 23:03:23 +00:00 |
|
|
|
2516600403
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12579 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-09-30 23:20:03 +00:00 |
|
|
|
bda37b7c98
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12518 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-09-18 14:39:15 +00:00 |
|
|
|
c9c83405ab
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12447 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-09-09 13:59:16 +00:00 |
|
|
|
a0b94e9053
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12434 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-09-08 15:44:38 +00:00 |
|
