|
|
61ec2f78ac
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13583 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-14 19:57:25 +00:00 |
|
|
|
47e13d72a8
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13582 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-14 19:55:42 +00:00 |
|
|
|
26b23a47cd
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13581 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-14 19:55:01 +00:00 |
|
|
|
ca4fa347b3
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13579 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-14 17:39:05 +00:00 |
|
|
|
4e6e4da383
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13578 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-14 17:29:47 +00:00 |
|
|
|
64e0dec066
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13576 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-14 17:24:26 +00:00 |
|
|
|
dd450680a8
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13575 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-14 17:24:24 +00:00 |
|
|
|
ba5cad5641
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13574 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-14 17:20:50 +00:00 |
|
|
|
233c6521dc
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13573 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-14 17:20:01 +00:00 |
|
|
|
476ff262c7
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13572 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-14 16:00:14 +00:00 |
|
|
|
6606a836f8
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13569 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-13 15:17:57 +00:00 |
|
|
|
ac35671f8a
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13568 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-13 15:00:47 +00:00 |
|
|
|
c210fae87d
|
Fixing Kokkos memory bug
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13566 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-09 22:46:55 +00:00 |
|
|
|
42ef87755e
|
Fixing Kokkos bug with restarts
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13565 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-09 22:44:52 +00:00 |
|
|
|
616e95e1e8
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13562 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-08 22:25:03 +00:00 |
|
|
|
5501c07f73
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13561 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-08 22:25:00 +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 |
|
|
|
2e1c8137c4
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13558 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-08 22:23:08 +00:00 |
|
|
|
eb6c99bf19
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13554 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-08 15:31:25 +00:00 |
|
|
|
a222aa29d9
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13553 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-08 15:31:07 +00:00 |
|
|
|
d4ff848ea8
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13552 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-08 15:20:38 +00:00 |
|
|
|
d8cc5a4bd8
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13551 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-08 15:12:22 +00:00 |
|
|
|
d88e01ed64
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13549 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-08 15:03:03 +00:00 |
|
|
|
7a4fbd49f8
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13548 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-08 15:03:00 +00:00 |
|
|
|
596a3a92ae
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13547 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-08 15:00:14 +00:00 |
|
|
|
d434e66be2
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13546 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-08 14:50:31 +00:00 |
|
|
|
9414009de0
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13545 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-08 14:47:33 +00:00 |
|
|
|
a3c3e6cb4b
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13544 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-08 14:41:23 +00:00 |
|
|
|
7b3f236f7f
|
Enabled Coulombic pair styles without energy_full
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13543 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-08 04:07:49 +00:00 |
|
|
|
e52b320061
|
Enabled Coulombic pair styles without energy_full
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13542 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-08 04:06:03 +00:00 |
|
|
|
0210c45653
|
Only root process calls potential_date
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13541 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-08 04:04:58 +00:00 |
|
|
|
d464e971e4
|
Added clarification about template molecule coordinates
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13540 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-08 02:31:04 +00:00 |
|
|
|
1d04d83b1e
|
Added protection against using charges without full_energy
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13539 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-07 23:58:59 +00:00 |
|
|
|
c368b5f988
|
Added protection against using charges without full_energy
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13538 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-07 23:50:37 +00:00 |
|
|
|
cd4d1ec7da
|
Updated the GCMC documentation
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13537 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-07 19:58:36 +00:00 |
|
|
|
8749c91a3c
|
Changed algorithm for generating rotation axis
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13536 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-07 18:41:54 +00:00 |
|
|
|
f03b5a8036
|
Fixed problem with image flags in attempt_molecule_insertion_full() and cleaned things up a little.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13535 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-07 16:43:21 +00:00 |
|
|
|
217fdbc360
|
Added DATE reporting for parameter file
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13534 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-06 17:08:35 +00:00 |
|
|
|
e60ccb6f9a
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13533 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-06 16:45:58 +00:00 |
|
|
|
819276d7bb
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13532 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-06 16:44:56 +00:00 |
|
|
|
0ab61a40ca
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13531 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-06 16:44:22 +00:00 |
|
|
|
fc933f28ff
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13530 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-06 16:35:48 +00:00 |
|
|
|
a0163ac956
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13529 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-06 16:34:33 +00:00 |
|
|
|
1cfff72295
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13528 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-06 16:34:14 +00:00 |
|
|
|
5aafb05486
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13527 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-06 16:33:37 +00:00 |
|
|
|
da4f029cfb
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13526 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-06 16:33:23 +00:00 |
|
|
|
4155d70748
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13525 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-06 16:32:04 +00:00 |
|
|
|
480fdccae1
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13524 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-06 15:54:38 +00:00 |
|
|
|
dd8b6a6a6d
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13522 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-06 14:31:09 +00:00 |
|
|
|
5622ae88b4
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13521 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-06 14:31:06 +00:00 |
|
