Commit Graph

9056 Commits

Author SHA1 Message Date
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
29557ef393 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13519 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-07-06 14:10:25 +00:00
a60a088403 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13518 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-07-06 14:04:30 +00:00
6f3946bab5 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13517 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-07-06 14:03:53 +00:00
9d3ab0f52f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13515 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-07-06 13:53:07 +00:00
8db4d80726 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13513 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-07-02 23:10:37 +00:00
ccfea31ae5 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13512 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-07-02 23:10:34 +00:00
79e142b2ca git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13511 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-07-02 19:09:11 +00:00
050244f229 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13510 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-07-02 14:26:05 +00:00
38af3b0ffb git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13508 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-07-02 00:48:15 +00:00
5db1b37955 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13507 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-07-02 00:48:12 +00:00
ade2dca6af git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13506 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-07-02 00:45:28 +00:00
7579964db7 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13505 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-07-02 00:44:28 +00:00
b3242e1962 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13504 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-07-02 00:44:17 +00:00
7abe03a595 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13503 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-07-02 00:43:29 +00:00
90d0dd27d2 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13502 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-07-02 00:39:44 +00:00
65f55e7023 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13501 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-07-02 00:39:19 +00:00
a67cb06856 Fixing small Kokkos bug
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13500 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-07-01 21:52:07 +00:00
2b605e29db Describes new QUIP directory structure
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13499 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-07-01 21:02:16 +00:00
fe0bf706ec Small bug fix for Kokkos charmm pair styles
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13498 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-07-01 19:56:10 +00:00
afd2f6bde8 Fixing small bug in run-style verlet split
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13497 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-07-01 15:54:23 +00:00
721b312498 Fixing small bug in Kokkos pair styles with long-range Coulombics
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13496 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-07-01 15:51:02 +00:00
48445741dd git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13494 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-06-26 17:33:25 +00:00
12b5742f6c Updated to new QUIP directory structure
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13493 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-06-23 23:18:51 +00:00
e223ffe74b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13490 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-06-12 16:58:04 +00:00
5a723510dc git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13489 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-06-09 15:22:07 +00:00
9a72a59b69 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13488 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-06-08 23:55:40 +00:00
547f570904 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13486 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-06-04 14:32:54 +00:00
43d738e168 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13484 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-05-21 19:10:38 +00:00
9d8ec277cb git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13483 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-05-19 19:13:31 +00:00
f110488db0 Added inside_nonperiodic()
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13482 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-05-18 21:08:06 +00:00
d9be5d7d63 Switched some inside() checks to inside_nonperiodic() checks
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13481 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-05-18 21:06:56 +00:00
b2b721f5fb Updated full_energy description
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13480 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-05-18 16:10:20 +00:00
bff094784d Added error message to list
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13479 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-05-18 16:04:42 +00:00
26c09979f3 Added inside box check for fix_gcmc moves
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13477 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-05-15 23:09:00 +00:00
aef75ace77 Added inside box check for fix_gcmc moves
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13476 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-05-15 22:41:51 +00:00
410549ec46 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13475 f3b2605a-c512-4ea7-a41b-209d697bcdaa r13475 2015-05-15 19:57:28 +00:00
fcbf8275eb git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13473 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-05-15 19:47:19 +00:00
7c5320e342 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13472 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-05-15 19:47:16 +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
8177dd7612 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13469 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-05-15 17:25:41 +00:00
b206e23b33 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13468 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-05-15 17:23:18 +00:00