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231e0f2383
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use LAMMPS internal number parsing with error handling
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2014-08-06 13:17:49 -04:00 |
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e16fe9807f
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
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2014-08-06 09:12:22 -04:00 |
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a9495cb7f0
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12252 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-08-05 23:56:57 +00:00 |
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cb9c3fbd11
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12251 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-08-05 22:34:08 +00:00 |
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c61878282f
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12250 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-08-05 22:34:05 +00:00 |
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17db9f469b
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fix segfault when reading multi-file restarts
this is the proposed change that fixes the crash report
from bart vorselaars on LAMMPS users 2014-08-05
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2014-08-05 16:54:25 -04:00 |
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a67fb36bab
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add test for invalid box dimension to demystify PPPM out of range errors
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2014-08-05 12:10:24 -04:00 |
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1be31f63ce
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
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2014-08-05 09:04:43 -04:00 |
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57b8a339eb
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clean up reading of C matrix and fix missing scaling bug
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2014-08-05 01:51:31 -04:00 |
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8821eb0518
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cleaned up code some. doesn't seem to fully work yet.
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2014-08-05 01:14:23 -04:00 |
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c46236d706
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update input examples to be more similar to other LAMMPS examples
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2014-08-04 23:09:34 -04:00 |
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2056624858
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remove trailing whitespace
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2014-08-04 22:23:31 -04:00 |
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5e98c4a3e6
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some simple cleanup and correction to C++ style and syntax
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2014-08-04 22:21:41 -04:00 |
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ff39614926
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import updated GLE fix from michele ceriotti
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2014-08-04 22:17:04 -04:00 |
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f5fa324eb6
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Merge branch 'lammps-icms' into cle-orig
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2014-08-04 21:39:35 -04:00 |
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cbed68e0e6
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12249 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-08-04 23:51:41 +00:00 |
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3a6c9b21e5
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properly account for added topology data
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2014-08-04 17:51:29 -04:00 |
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526bddbf2b
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give visual feedback for molecule properties with molecule command
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2014-08-04 17:35:43 -04:00 |
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006f747f27
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remove redundant TIP4P check and signal if TIP4P is used PPPM
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2014-08-04 17:35:10 -04:00 |
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c46d3db5b8
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
doc/Manual.html
doc/Manual.txt
src/KSPACE/pair_lj_cut_tip4p_long.cpp
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2014-08-04 14:44:45 -04:00 |
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ebc7b99234
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12247 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-08-01 23:40:52 +00:00 |
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664c2b605b
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12246 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-08-01 23:40:51 +00:00 |
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a12cc9cce8
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12245 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-08-01 23:40:44 +00:00 |
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00a803f04b
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12244 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-08-01 23:37:52 +00:00 |
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4f945993d5
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12243 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-08-01 23:14:00 +00:00 |
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0ee504a737
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12242 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-08-01 22:13:52 +00:00 |
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b7814379a5
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12241 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-08-01 21:23:36 +00:00 |
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4fbebcc31d
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12240 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-08-01 21:06:10 +00:00 |
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5ac9e9a785
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12239 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-08-01 19:15:50 +00:00 |
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df5c028ad4
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12238 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-08-01 14:42:32 +00:00 |
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3dace181b7
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12237 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-08-01 14:42:16 +00:00 |
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36f20c89eb
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12236 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-08-01 14:21:52 +00:00 |
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8b6dd56190
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12235 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-07-31 21:39:36 +00:00 |
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ce0827c3d9
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correct logic bug in pppm+tip4p pair style settings
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2014-07-31 15:03:14 -04:00 |
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f3a3c61506
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
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2014-07-31 11:07:15 -04:00 |
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11a8dd6719
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12234 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-07-31 14:28:22 +00:00 |
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b95497e8a9
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Merge branch 'lammps-icms' into cle-orig
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2014-07-30 15:02:14 -04:00 |
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e8dd5814f3
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12233 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-07-30 17:37:50 +00:00 |
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9d9b1ae9f1
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12232 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-07-30 15:05:17 +00:00 |
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fe1ade5fad
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12231 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-07-30 14:59:20 +00:00 |
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f4fe83b3ba
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
src/STUBS/mpi.c
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2014-07-30 10:49:57 -04:00 |
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f6c15d997d
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12230 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-07-30 14:40:37 +00:00 |
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24c9982406
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12229 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-07-30 14:30:42 +00:00 |
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c5b40aaa90
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12228 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-07-29 23:29:20 +00:00 |
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842ba3a22b
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12227 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-07-29 23:29:10 +00:00 |
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cca9c603ea
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12226 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-07-29 23:28:49 +00:00 |
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e1adfe9db5
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12225 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-07-29 23:27:01 +00:00 |
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22cecea979
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12224 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-07-29 23:26:56 +00:00 |
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8047d6058e
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12223 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-07-29 21:46:50 +00:00 |
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4666da3f48
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anticipate changes from upstream to fix compilation error for MPI STUBS
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2014-07-29 17:28:21 -04:00 |
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