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e133c60ff5
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bond/react docs: better English
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2019-05-26 20:28:28 -06:00 |
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97be57be7b
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additional topology overflow check for reactions
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2019-05-26 15:53:49 -06:00 |
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5523c9e7f6
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Merge pull request #48 from lammps/master
rebase
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2019-05-26 15:42:13 -06:00 |
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c2a200fe85
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A function logfreq3(), for logarithmical spacing
Unlike logfreq(), this also allows for fractional ratios
Resolves #1471
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2019-05-26 14:00:21 +05:30 |
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e82e1c695a
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correct links in package documentation
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2019-05-24 19:45:48 -04:00 |
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2ee02cfadd
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Don't reallocate views every time in neigh_bond_kokkos
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2019-05-24 11:27:09 -06:00 |
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eea67bf3bf
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Add sync/modify for growing dvector
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2019-05-22 08:52:57 -06:00 |
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cfad0634ac
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Merge pull request #1465 from akohlmey/collected-minor-changes
Collected small changes and bugfixes
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2019-05-21 16:55:19 -04:00 |
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bd05228c71
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Merge pull request #1464 from akohlmey/group-group-coord-num
Add option to restrict coordination number by group
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2019-05-21 16:55:05 -04:00 |
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0f1e4b0504
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Merge pull request #1467 from stanmoore1/eam_kk
Fix bug in pair_style eam/alloy/kk and pair_style eam/fs/kk
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2019-05-21 16:54:51 -04:00 |
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439e7da03f
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Need auto-sync on for initialization
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2019-05-21 11:47:55 -06:00 |
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ed7c09ac81
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Add missing character
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2019-05-21 10:30:33 -06:00 |
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0ee1daa46d
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Add Lenz to false-positive list
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2019-05-21 10:24:24 -06:00 |
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2fbc4f504d
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Per-atom virial is not yet supported with pppm/dipole
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2019-05-21 10:16:13 -06:00 |
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95ab056576
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Add PPPM dipole reference
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2019-05-21 10:07:41 -06:00 |
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a0bc619550
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Need to call atomKK version of sync/modified in Kokkos atom_vec styles
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2019-05-21 09:21:55 -06:00 |
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82b50706bd
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Commit2 JT 052019
- some corrections in the examples
- deleted an old doc files (now redundant)
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2019-05-20 22:09:59 -06:00 |
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e90eed9120
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Commit JT 052019
- deleted old doc
- renamed new doc files
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2019-05-20 21:48:05 -06:00 |
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5f2f7d1575
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Merge branch 'pppm_spin' of github.com:julient31/lammps into pppm_spin
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2019-05-20 21:35:52 -06:00 |
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3e60ec9be1
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Merge branch 'clean-master2' of github.com:julient31/lammps into pppm_spin
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2019-05-20 21:35:16 -06:00 |
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d0c6484fb0
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add false positive
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2019-05-20 15:15:51 -04:00 |
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0349e9fee9
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update/correct list of example folders
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2019-05-20 15:08:33 -04:00 |
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55116db8fb
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avoid segfault and print more meaningful error message with empty lines in coeff sections
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2019-05-20 14:15:04 -04:00 |
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1041934568
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Fix bug in pair_eam_alloy_kokkos and pair_eam_fs_kokkos
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2019-05-20 10:01:40 -06:00 |
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50082c287d
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sphinxcontrib-spelling has been updated for Sphinx 2.x. remove enforcing to use old version
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2019-05-18 15:41:38 -04:00 |
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e3823a521c
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remove leftover references to removed MEAM package
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2019-05-18 15:36:13 -04:00 |
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dc8b43a95f
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update docs and sources and for changes in this branch
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2019-05-18 15:16:10 -04:00 |
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601746b565
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restore lost changes to fix gpu from upstream
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2019-05-18 13:09:25 -04:00 |
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35bb2ac2a3
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fix typo
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2019-05-18 09:25:20 -04:00 |
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fbb78e7b78
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Commit JT 051719
- removed qsymp pair style
- cleaned doc (pair/spin/diole and kspace_style)
- cleaned kspace .cpp/h files
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2019-05-17 15:04:14 -06:00 |
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c7eb9a8626
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there really isn't a problem with calling this compute multiple times
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2019-05-17 15:26:35 -04:00 |
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803e0631c5
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Added bispectrum compute
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2019-05-16 22:11:06 -06:00 |
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51a6bfd579
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Added bispectrum compute
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2019-05-16 22:01:45 -06:00 |
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5b71b3fc57
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Added bispectrum compute
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2019-05-16 21:51:24 -06:00 |
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e2ed9330b7
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Merge branch 'master' into team_opt
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2019-05-16 12:31:26 -06:00 |
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41872e37e6
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Merge branch 'pppm_spin' of github.com:julient31/lammps into pppm_spin
Conflicts:
doc/src/pair_spin_dipole.txt
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2019-05-16 10:34:33 -06:00 |
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fb8d31422d
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fix typo
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2019-05-16 09:06:17 -04:00 |
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27a2d0cbd4
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add option to restrict coordination number by group
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2019-05-16 08:55:03 -04:00 |
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0c0b106924
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Commit2 JT 051519
- started doc pair_spin_dipole.txt
- renamed all pair/spin/dipole
- created and tested example pair/spin/dipole/cut
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2019-05-15 20:49:05 -06:00 |
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98d9c45ad9
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compute_bispectrum
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2019-05-15 17:18:24 -06:00 |
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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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