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3b8ecd5c06
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Fix typo
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2016-08-08 14:55:58 +01:00 |
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459db2eb6b
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update colvars library to version 2016-08-05
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2016-08-07 09:54:20 -04:00 |
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93554fac5e
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plug small memory leak
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2016-08-06 23:43:10 -04:00 |
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7abc061bf7
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update documentation for refactored load-balancing
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2016-08-06 23:31:42 -04:00 |
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797c6dc2dd
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remove upper limit for weigh factor on neighbor list and time weights
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2016-08-06 22:49:23 -04:00 |
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5405622f3b
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add new imbalance module store, which allows to store weights in an atom property
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2016-08-06 22:48:59 -04:00 |
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280aef55d2
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convert from using fix property/atom to using fix store
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2016-08-06 19:31:09 -04:00 |
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b3bd35c7be
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whitespace cleanup
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2016-08-06 19:30:17 -04:00 |
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fcba14a0aa
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properly handle the case of neighbor lists never been computed before
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2016-08-06 15:47:01 -04:00 |
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c00aa3c600
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plug small memory leak
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2016-08-06 15:11:30 -04:00 |
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529417f86c
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simplify and correct logic to pass weight to balancer algorithms
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2016-08-06 14:40:58 -04:00 |
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6a519e5eef
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correct string hanlding with building custom property label
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2016-08-06 14:40:24 -04:00 |
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4c26534245
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we cannot add a fix while creating a fix. move fix addintion to Fix::init()
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2016-08-06 14:39:09 -04:00 |
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1da862b440
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rewrote balancing to use per-atom data stored via fix property/atom
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2016-08-06 13:21:32 -04:00 |
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4b3783d18c
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custom property names should be compatible with string literals
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2016-08-06 13:20:48 -04:00 |
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62443e27bc
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Merge branch 'lammps-icms' into balance-refactor
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2016-08-06 07:24:07 -04:00 |
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78b47137ba
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
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2016-08-06 07:22:53 -04:00 |
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0029040f11
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15456 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-08-05 22:12:27 +00:00 |
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decd072117
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15455 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-08-05 20:58:38 +00:00 |
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30d6007565
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15454 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-08-05 20:45:14 +00:00 |
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390b492d08
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15453 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-08-05 18:28:23 +00:00 |
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9a3b988b2b
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15452 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-08-05 18:28:02 +00:00 |
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36a0c644a9
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Attempted to straighten out italics
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15451 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-08-05 18:21:12 +00:00 |
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96a73d51cd
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15450 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-08-05 18:16:10 +00:00 |
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1780c86b86
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Fixed error in ave/time version
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15449 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-08-05 17:53:52 +00:00 |
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32c8c9d63e
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clarified energy contribution to minimization energy
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15448 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-08-05 16:27:48 +00:00 |
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7541033246
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15445 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-08-05 15:50:41 +00:00 |
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2d694f934e
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15444 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-08-05 15:50:00 +00:00 |
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ce7581b869
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15442 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-08-05 15:38:38 +00:00 |
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42cc69b843
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15441 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-08-05 15:17:36 +00:00 |
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e09caf843d
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15440 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-08-05 15:17:23 +00:00 |
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82a29a8adb
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15439 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-08-05 15:14:30 +00:00 |
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091fb71a93
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15438 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-08-05 15:14:06 +00:00 |
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3fe162a42d
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15437 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-08-05 15:11:09 +00:00 |
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9a9897cd44
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15436 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-08-05 15:07:34 +00:00 |
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290cbb9b91
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
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2016-08-05 06:42:17 -04:00 |
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cd01e5855d
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Merge branch 'lammps-icms' into balance-refactor
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2016-08-04 22:34:26 -04:00 |
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0f2e724190
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create/use a ke compute instead of converting from temperature
this gives consistent output, since temperature computes remove dofs and then ke is significantly off for systems with small numbers of atoms
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2016-08-04 16:36:03 -04:00 |
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a19ea3ee5e
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remove unused variable
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2016-08-04 16:34:17 -04:00 |
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f4f8ce57a5
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port changes to dump file formatting from upstream to COMPRESS package
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2016-08-04 14:16:42 -04:00 |
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73368211c5
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fix bug introduced by steve.
bonus question: will he ever learn, that such enums belong into header files inside the class definitions that use them?
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2016-08-04 14:02:28 -04:00 |
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8806203075
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Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps-icms
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2016-08-04 13:43:12 -04:00 |
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ca1050f587
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delete redundant code and add comment to avoid doing this in the future
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2016-08-04 13:24:01 -04:00 |
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0bffc1711e
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15435 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-08-04 16:39:15 +00:00 |
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2a90afe7e9
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fix optional argument scanning bug
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2016-08-04 08:28:40 -04:00 |
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f884bb2c92
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remove unused class member
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2016-08-04 08:18:55 -04:00 |
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71ef6fb4d9
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incorporate refactored weighting into fix balance
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2016-08-04 08:04:21 -04:00 |
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ecbbdc2e7f
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convert weight array from class member to local pointer to temporary storage
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2016-08-04 08:03:38 -04:00 |
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ad0633f7c1
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
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2016-08-04 06:56:58 -04:00 |
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d40de42af8
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proof-of-concept implementation for neighbor list based balancing with yet unsolved problems
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2016-08-04 02:02:34 -04:00 |
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