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ebbed707c6
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
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2016-08-21 11:00:54 -04:00 |
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2fff78a78e
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15484 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-08-20 22:43:04 +00:00 |
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d4891754c8
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15483 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-08-20 22:42:24 +00:00 |
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ccf8cf20b3
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15482 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-08-20 22:42:17 +00:00 |
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6ccf4b4525
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15481 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-08-20 22:41:29 +00:00 |
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bfba361f65
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15480 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-08-20 22:22:00 +00:00 |
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579c527718
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fix indexing bugs in accessing compute and fix labels in fix ave/histo
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2016-08-16 23:54:56 -04:00 |
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b745636a67
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thread timing summare needs to be marked as preformatted
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2016-08-14 22:01:32 -04:00 |
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27d36f3f14
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
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2016-08-14 06:15:09 -04:00 |
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b1829c107c
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15479 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-08-13 15:03:16 +00:00 |
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ac6f4f8a56
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correct small (but harmless) logic error.
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2016-08-13 10:53:29 -04:00 |
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832f6a9f11
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15475 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-08-13 14:52:15 +00:00 |
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6503590875
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15474 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-08-13 14:51:00 +00:00 |
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2c9eef57d0
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15473 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-08-13 14:49:57 +00:00 |
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eba3ad9abb
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update colvars to version 2016-08-10
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2016-08-13 07:24:26 -04:00 |
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e338a2f386
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
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2016-08-13 06:54:59 -04:00 |
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60bf26bad9
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silence warnings about cases, that cannot happen
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2016-08-13 01:59:27 -04:00 |
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63b41cb139
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fix bug found by coverity scan
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2016-08-13 01:58:37 -04:00 |
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c03252f08d
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15471 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-08-12 14:34:16 +00:00 |
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ff933712b7
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15470 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-08-12 14:33:36 +00:00 |
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112c98159b
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15469 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-08-12 13:49:50 +00:00 |
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20e0ae3645
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adapt input to no longer fail with recent thermo changes
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2016-08-11 18:14:23 -04:00 |
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bc7c97b882
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remove duplicated statement
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2016-08-11 07:30:10 -04:00 |
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c6ef337b2e
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
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2016-08-11 07:28:45 -04:00 |
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2b052c2a9c
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improve the weight assignment algorithm for compute time based balancing
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2016-08-10 20:52:49 -04:00 |
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433741564d
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add run 0 to USER-TALLY examples to enforce shake constraints on step 0
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2016-08-10 20:25:44 -04:00 |
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ea4655d5e5
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Merge branch 'merge-pull-134' into lammps-icms
improvements of extended python wrapper for use at the upcoming LAMMPS tutorial
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2016-08-10 15:52:19 -04:00 |
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7abc52d4cf
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Merge branch 'python_interface_enhancements' of https://github.com/rbberger/lammps into merge-pull-134
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2016-08-10 15:50:39 -04:00 |
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57d7a4a6ad
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Add utility function to IPyLammps for embedding videos
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2016-08-10 14:35:48 -04:00 |
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054b1cedb0
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Add verbose option in PyLammps methods
This option allows forcing LAMMPS output to be printed to the console.
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2016-08-10 14:31:17 -04:00 |
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639ea6c396
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15468 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-08-10 14:59:04 +00:00 |
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b3364ae943
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15467 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-08-10 14:46:16 +00:00 |
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cb816f8cba
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update colvars to another set of changes from the upstream repo
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2016-08-10 09:35:21 -04:00 |
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df99a85930
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update colvars makefile dependencies
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2016-08-10 09:13:08 -04:00 |
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6f227e194e
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suppress compiler warning
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2016-08-10 09:12:51 -04:00 |
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f2ddf828e4
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update colvars to version 2016-08-10
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2016-08-10 09:03:25 -04:00 |
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aef16fed2a
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
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2016-08-10 07:26:12 -04:00 |
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3eba86e650
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builtins module doesn't seem to exist in some older python 2.x installations. try without.
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2016-08-09 20:57:28 -04:00 |
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791e56039c
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Merge branch 'merge-pull-133' into lammps-icms
From Richard Berger:
updates for python wrapper
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2016-08-09 19:40:22 -04:00 |
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77ce967888
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Merge branch 'python_interface_enhancements' of https://github.com/rbberger/lammps into merge-pull-133
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2016-08-09 19:36:24 -04:00 |
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3349f7e143
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15466 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-08-09 23:25:06 +00:00 |
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0ab96350f0
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python2/3 portability changes suggested by futurize -1
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2016-08-09 18:36:29 -04:00 |
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de2b6cf6bd
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15465 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-08-09 20:45:02 +00:00 |
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ae3f4173c0
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apply changes suggested by futurize -1 -2 for improved python 2/3 compatibility
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2016-08-09 16:04:17 -04:00 |
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8d2fc6b14f
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perform stage 2 of python2/3 compatibility conversion with futurize
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2016-08-09 16:00:28 -04:00 |
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2495bee1d8
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process with futurize -1 to increase its portability.
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2016-08-09 15:50:41 -04:00 |
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ad652c9b82
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port changes to lj/sf/dipole/sf to lj/sf/dipole/sf/omp
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2016-08-09 10:30:43 -04:00 |
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0369d79c39
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change pair_coeff syntax for lj/sf/dipole/sf to be backward compatible and trigger error when using an old executable
also print warning about incomplete single() method, when used
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2016-08-09 10:28:16 -04:00 |
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6c8d3ed4e8
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15463 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-08-09 14:10:55 +00:00 |
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ae691ab786
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import updated pair lj/sf/dipole/sf files from sam genheden
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2016-08-09 09:33:15 -04:00 |
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