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1370385c8c
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patch 23Jun17
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2017-06-23 17:10:59 -06:00 |
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4fcbd58d5a
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doc page clarifications for CHARMM energy and dipole pre-factors
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2017-06-23 15:54:14 -06:00 |
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feb500b526
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reword the kspace_modify fftbench keyword docs to reflect the current state (i.e. off by default) of code
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2017-06-22 19:17:41 -04:00 |
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7a4a569859
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Merge pull request #540 from lammps/neighrespa
fix issue with rRESPA inner/middle neighbor lists
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2017-06-22 07:54:12 -06:00 |
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de3157f720
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document new restrictions to CHARMM compatible dihedral styles
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2017-06-21 19:31:40 -04:00 |
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1fc2eb1e3e
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fix issue with rRESPA inner/middle neighbor lists
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2017-06-21 15:12:51 -06:00 |
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1a77135ed6
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whitespace cleanup in docs
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2017-06-21 09:38:10 -04:00 |
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f45c7e1fb0
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update fix ti/spring docs to reflect it is part of USER-MISC
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2017-06-21 09:36:30 -04:00 |
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87c028ed02
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patch 20Jun17
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2017-06-20 12:06:02 -06:00 |
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72a1364d85
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Merge branch 'master' into package-meamc
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2017-06-20 13:21:46 -04:00 |
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50c9167913
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small formatting correction in fix neb docs
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2017-06-20 10:36:30 -04:00 |
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d2610d9e7c
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minor changes to NEB doc pages and examples
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2017-06-20 08:19:23 -06:00 |
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9d3e34e492
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add missing reference for lj/smooth/linear
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2017-06-19 11:23:30 -04:00 |
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8988b692a3
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modified the documentation, first and last freeend can have different spring constants
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2017-06-19 16:30:42 +02:00 |
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cd88b31450
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same PR, also has cosmetic changes to new fix neb options
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2017-06-16 17:02:05 -06:00 |
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9b9f6d6fe2
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USER-INTEL upgrade from M Brown
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2017-06-16 16:56:28 -06:00 |
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d3c90f3c14
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Merge pull request #510 from akohlmey/collected-small-changes
Collected small changes
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2017-06-15 11:12:14 -06:00 |
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1a29048940
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Merge pull request #531 from ohenrich/user-cgdna
Affiliation Update for USER-CGDNA
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2017-06-15 08:54:52 -06:00 |
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7227bc415d
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Merge pull request #526 from andeplane/vashishta_gpu
Implemented pair style vashishta in GPU package
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2017-06-15 08:52:13 -06:00 |
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30177c4eae
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Merge pull request #521 from pastewka/17_dump_nc
Updated NetCDF dump style (dump netcdf)
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2017-06-15 08:47:29 -06:00 |
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576b7f1d97
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Merge pull request #519 from Pakketeretet2/USER-MANIFOLD-gaussian-bump
Some extensions/cleanup in USER-MANIFOLD
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2017-06-15 08:46:55 -06:00 |
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86369fec6b
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Merge pull request #517 from akohlmey/select-rigid-reinit-option
Add `reinit` keyword to rigid body fixes
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2017-06-15 08:46:29 -06:00 |
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9a7207e34c
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Merge pull request #511 from akohlmey/add-compute-cnp
Integrate compute cnp/atom contributed by Paulo Branicio (USC)
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2017-06-15 08:38:05 -06:00 |
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3c7417fb59
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Merge pull request #497 from lammps/add-user-reaxc-omp
Add USER-OMP compatible OpenMP support to USER-REAXC
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2017-06-15 08:24:03 -06:00 |
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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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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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