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7b264d35fa
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remove dead code
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2019-05-15 14:53:51 -04:00 |
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084bb3c35b
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Commit JT 051519
- start doc pair_spin_dipole
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2019-05-15 08:34:12 -06:00 |
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267782d689
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Merge pull request #1459 from akohlmey/next-patch-release
Step version string for next patch release
patch_15May2019
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2019-05-14 21:30:28 -04:00 |
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31789ad03b
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Commit JT 051419
- added beginning doc
- removed a remaining dipolar
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2019-05-14 17:44:35 -06:00 |
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fd168068a1
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Merge branch 'clean-master2' of github.com:julient31/lammps into pppm_spin
Conflicts:
src/SPIN/fix_nve_spin.h
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2019-05-14 17:41:58 -06:00 |
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f2b293d93b
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Merge pull request #1460 from akohlmey/collected-small-changes
Some more small changes
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2019-05-14 17:55:36 -04:00 |
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6e842ba84a
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fix typo
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2019-05-14 17:36:26 -04:00 |
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30dc7f70b5
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correct repeated words in docs
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2019-05-14 17:13:46 -04:00 |
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98702cc0b9
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Merge pull request #1461 from lammps/doc-tweak-hyper
add missing formatting info
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2019-05-14 17:10:23 -04:00 |
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67532684f9
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add missing formatting info
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2019-05-14 14:02:54 -06:00 |
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2c51511325
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update logfiles for SPIN package with cubic anisotropy
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2019-05-14 15:49:41 -04:00 |
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1d5ada136a
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should set one_coeff flag to 1 in potentials requiring 'pair_coeff * *'
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2019-05-14 15:24:37 -04:00 |
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4a4dcef7b7
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whitespace cleanup in pair style e3b
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2019-05-14 15:24:37 -04:00 |
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4dc90b367e
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Merge pull request #1458 from wmbrownIntel/user-intel-bigbig
USER-INTEL: Changes to support LAMMPS_BIGBIG in USER-INTEL + fixed check for per-atom virials + fixed check for exclusion with offload.
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2019-05-14 15:09:06 -04:00 |
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091dbfa265
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Merge pull request #1457 from julient31/fix_cubic_aniso
Adding a cubic anisotropy in the SPIN package, documentation corrections
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2019-05-14 15:08:21 -04:00 |
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a26dc1b356
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allow using -DLAMMPS_BIGBIG also with CMake
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2019-05-14 14:35:41 -04:00 |
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d8fb17e2cb
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Step version string for next patch release
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2019-05-14 10:01:43 -04:00 |
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322c244bec
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Merge pull request #1456 from akohlmey/fix-mapping-for-KC-etc
Fix element mapping and a few other issues for interlayer potentials
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2019-05-13 21:12:58 -04:00 |
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60f6c3f3dc
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Merge pull request #1428 from sstrong99/e3b
add E3B water model to USER-MISC package
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2019-05-13 21:12:26 -04:00 |
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c911a44298
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Merge pull request #1450 from akohlmey/cmake-latte-pass-cmake-settings
Pass more cmake settings to LATTE downloaded library build
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2019-05-13 21:11:24 -04:00 |
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52e3aeab33
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revert incorrect changes in commands_list.txt
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2019-05-13 21:05:26 -04:00 |
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3a8b3a119f
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Merge pull request #1451 from rbberger/atom_vec_bond_kokkos_fix
Add missing molecule_flag=1 in atom_vec_bond_kokkos
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2019-05-13 20:59:51 -04:00 |
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8e18f2bf7e
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Commit2 JT 051319
- corrected doc issues
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2019-05-13 17:32:44 -06:00 |
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11f223416c
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Commit JT 051319
- added a cubic anisotropy in fix_precession_spin
- added associated doc and examples
- corrected neb/spin commands in doc/src/
- added tools/spin/ description
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2019-05-13 16:59:39 -06:00 |
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d3d4b420ba
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USER-INTEL: Changes to support LAMMPS_BIGBIG in USER-INTEL + fixed check for per-atom virials + fixed check for exclusion with offload.
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2019-05-13 05:02:46 -07:00 |
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805cc18b2d
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Merge branch 'master' into e3b
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2019-05-12 22:22:31 -05:00 |
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e228555aed
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more consistency changes for interlayer potentials
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2019-05-11 17:05:27 -04:00 |
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8eeb92b82b
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restore original coeff() code with one modification. now setflag is only set for pairs of types that both are mapped to elements (and thus not NULL)
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2019-05-11 17:04:57 -04:00 |
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c581e9349a
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update interlayer potential examples for now requiring CH.rebo potential file with rebo pair style
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2019-05-11 16:46:21 -04:00 |
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a0cc6b5b59
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Forgot to change pair style to nn/snap
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2019-05-11 14:04:21 -06:00 |
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f2d881470d
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Added placeholder for neural network SNAP potential
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2019-05-11 12:55:11 -06:00 |
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e13c661f77
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Added placeholder for neural network SNAP potential
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2019-05-11 12:54:18 -06:00 |
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a1f421cd54
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Moved compute_beta outside of main force loop
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2019-05-11 12:41:54 -06:00 |
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b2942cbafa
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correctly handle coeff statement for ilp/graphene/hbn
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2019-05-10 21:07:54 -04:00 |
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c86359966c
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error out when offset flag is unset via "pair_modify shift no"
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2019-05-10 21:07:05 -04:00 |
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a7c9560dc1
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Merge pull request #1453 from mjwen/pair_drip
add pair style drip
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2019-05-10 20:44:28 -04:00 |
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03505a6c48
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Merge pull request #1455 from lammps/doc-tweak
mis-labeling of some rigid fixes
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2019-05-10 20:42:39 -04:00 |
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6d84bd6138
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Added compute_beta()
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2019-05-10 10:34:01 -06:00 |
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238382e0ca
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fix handline of setflag and coeffs to correctly work with system, that have extra atom types.
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2019-05-10 10:26:33 -04:00 |
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2bc089db27
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mis-labeling of some rigid fixes
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2019-05-10 07:42:11 -06:00 |
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799f4061f4
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Merge pull request #3 from akohlmey/pair_drip
Update to master with refactored REBO pair style and adjusted examples
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2019-05-09 12:18:11 -05:00 |
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2f580380a4
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adjust drip potential example for new requirements for pair style rebo. recreate log files
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2019-05-09 12:29:38 -04:00 |
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47cf17e5c8
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Merge branch 'master' into pair_drip
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2019-05-09 12:19:41 -04:00 |
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928600a878
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Merge pull request #1452 from akohlmey/github-rebo-bugfix
Resubmission of REBO bugfix for easier review
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2019-05-09 12:18:05 -04:00 |
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7b2d526f86
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Merge pull request #1448 from akohlmey/collected-small-changes
Collected small changes and bugfixes
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2019-05-09 12:17:19 -04:00 |
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0034473e66
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update legacy pdf manual input config
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2019-05-08 10:19:21 -04:00 |
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da75fc3eaa
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incorporate compute_pe_e3b into compute_pair
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2019-05-08 09:05:09 -05:00 |
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711cd4122f
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corrections to documentation and implementation of pair styles lj/mdf, buck/mdf, and lennard/mdf
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2019-05-07 19:52:00 -04:00 |
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45e6ed018e
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correct formula for lennard/mdf potential
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2019-05-07 19:45:13 -04:00 |
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8c193b8c42
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add support for write_data/write_coeff to pair style lj/mdf
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2019-05-07 19:28:19 -04:00 |
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