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34cfc7bd51
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Merge pull request #490 from EmileMaras/NEB-Change
added several features to the NEB
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2017-06-15 08:23:04 -06:00 |
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77ca68a2b4
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Changed affiliation
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2017-06-15 12:52:19 +01:00 |
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e139a7fd45
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Updated docs for vashishta/gpu
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2017-06-14 13:52:03 +02:00 |
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bdd908c303
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update documentation for USER-MEAMC package and pair style meam/c
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2017-06-11 21:54:18 -04:00 |
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daa77176ad
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add restart support to fix deform. only "initial" data is restored and some consistency check performed
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2017-06-10 17:28:17 -04:00 |
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a849f35dcd
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adjust compute cnp/atom to match the documentation. need to skip atoms not in compute group.
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2017-06-10 16:55:42 -04:00 |
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c81bc108f9
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DOC: Updated dump_modify and dump netcdf documentation.
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2017-06-08 23:19:38 +02:00 |
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1f9504c546
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some more bookkeeping updates triggered by the lj/sf style removal
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2017-06-06 17:31:45 -04:00 |
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5cb56796a2
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alias pair style lj/sf to lj/smooth/linear and remove/update related files
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2017-06-06 17:26:06 -04:00 |
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cd67eaa5f4
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update e-mail and affiliation for stefan paquay in USER-MANIFOLD related files
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2017-06-06 16:26:57 -04:00 |
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18dee3f78e
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Added Gaussian bump. Updated e-mail address.
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2017-06-06 16:03:09 -04:00 |
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06c8e95774
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corrected the fix_neb documentation
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2017-06-06 14:20:54 +02:00 |
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46c5cbae8f
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update rigid fix documentation for added reinit keyword
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2017-06-05 18:04:09 -04:00 |
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ff58ccac28
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add clarification to impact of special bonds to manybody potentials
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2017-06-04 21:21:32 -04:00 |
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e03cc99467
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made the command options more lammps standard style
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2017-06-02 23:42:16 +02:00 |
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af5f19604c
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remove no longer correct sentence from set command docs
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2017-05-31 23:36:39 -04:00 |
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3025996407
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Merge branch 'master' into add-user-reaxc-omp
This updates the code base with several required updates from master
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2017-05-31 12:53:38 -04:00 |
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85e917ae52
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integrate compute cnp/atom contributed by Paulo Branicio (USC)
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2017-05-31 00:38:44 -04:00 |
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167a51538e
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support atom style variables for assigning image flags with the set command
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2017-05-30 21:52:32 -04:00 |
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cace3e3530
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Added missing :pre to doc/src/fix_adapt.txt
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2017-05-30 16:08:32 -04:00 |
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286d4f2743
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Merge pull request #506 from lammps/snap
SNAP changes by Aidan
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2017-05-30 13:32:00 -06:00 |
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952b18fc02
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Merge pull request #494 from rbberger/small_updates
Collection of minor updates
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2017-05-30 10:51:24 -06:00 |
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22fdb1fc14
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SNAP changes by Aidan
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2017-05-30 10:21:07 -06:00 |
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de446ace2f
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Merge branch 'user-manifold-doc-fix' of https://github.com/Pakketeretet2/lammps into doc-fixes
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2017-05-26 18:44:29 -04:00 |
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2055110e05
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Fixed typo in dox.
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2017-05-26 17:38:21 -04:00 |
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c3f6e27bfe
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augment documentation for newly added multi-threaded reax/c styles
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2017-05-25 17:00:19 -04:00 |
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ead05f81c0
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Merge branch 'pair_morse_soft-doc-fix' of https://github.com/Pakketeretet2/lammps into doc-fixes
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2017-05-24 13:56:54 -04:00 |
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4f9e7cbd16
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Cleaned up docs for pair_mores, a missing :pre ruined formatting.
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2017-05-24 13:36:14 -04:00 |
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06a4f47a4c
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Merge remote-tracking branch 'upstream/master' into small_updates
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2017-05-22 17:14:29 -04:00 |
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97d3c843c4
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small documentation fixes to fix typos and formatting issues
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2017-05-21 11:13:47 -04:00 |
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aca16745e4
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restore spelling fix and semantic fix from upstream
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2017-05-19 12:17:19 -04:00 |
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a5110d81ea
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correct a bunch of documentation formatting issues for updated neb and fix neb commands
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2017-05-19 12:13:23 -04:00 |
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2225fce94e
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patch 19May17
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2017-05-19 07:35:36 -06:00 |
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9593e05c9e
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Force PDF documentation build to fail on first error
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2017-05-18 19:37:08 -04:00 |
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8751850eca
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a few formatting fixes for pair style python
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2017-05-18 18:34:03 -04:00 |
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d4ee03c778
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changed doc links
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2017-05-18 21:31:39 +02:00 |
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b28ecd44c2
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update docs before patch release
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2017-05-18 13:14:47 -06:00 |
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6ac9b7a1b0
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Merge pull request #482 from akohlmey/add-pair-python
Add python pair style for implementing simple pairwise additive potentials in python
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2017-05-18 11:15:58 -06:00 |
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5d38cbbce9
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Merge pull request #487 from akohlmey/pair_edip_multi_element
Import multi-element compatible pair style edip as edip/multi
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2017-05-18 09:13:30 -06:00 |
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aa09f45b7e
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Merge pull request #484 from akohlmey/add-gao-weber-styles
Add Gao-Weber manybody styles
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2017-05-18 09:10:03 -06:00 |
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683f3d9d2a
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Merge pull request #481 from akohlmey/collected-small-changes
Collected small updates and bugfixes
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2017-05-18 09:01:04 -06:00 |
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8daba01151
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some small formating change but does not work anymore
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2017-05-18 16:48:20 +02:00 |
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640edbc1d4
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added several features to the NEB
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2017-05-18 11:08:08 +02:00 |
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bd11479a16
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lock the sphinx command to version 1.5.6, since version 1.6.x seems to break one of the extensions we use
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2017-05-18 00:50:35 -04:00 |
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24654ad28f
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small formatting corrections to pair python style
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2017-05-18 00:38:36 -04:00 |
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9725708b90
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update pair style python docs
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2017-05-18 00:29:02 -04:00 |
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1d48f287f0
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add partial documentation for pair style python
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2017-05-17 19:05:18 -04:00 |
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278b9f7fba
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move pair gw and gw/zbl to USER-MISC package
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2017-05-17 14:59:46 -04:00 |
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085f3afdfb
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fix typo in docs
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2017-05-17 09:59:30 -04:00 |
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597f95fb1b
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fix duplicate reference
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2017-05-16 17:53:12 -04:00 |
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