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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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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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fc8a639d58
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add documentation for kim_style command. update a few KIM related doc files
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2019-05-24 19:42:16 -04:00 |
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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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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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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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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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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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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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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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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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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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267782d689
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Merge pull request #1459 from akohlmey/next-patch-release
Step version string for next patch release
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2019-05-14 21:30:28 -04:00 |
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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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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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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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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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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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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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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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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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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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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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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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12f8834b80
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correction of the incomplete implementation warning in write_coeff
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2019-05-07 19:26:57 -04:00 |
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a87d8e124f
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Merge pull request #1449 from akohlmey/fix-print-w-variable-step
Support using a variable instead of a constant interval for fix print
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2019-05-06 12:10:42 -04:00 |
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cc30688137
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Merge pull request #1364 from stanmoore1/kk_binsize
Change defaults for KOKKOS package
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2019-05-06 12:10:08 -04:00 |
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b3f4e2055e
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Merge pull request #1438 from giacomofiorin/colvars-update
Update Colvars library to version 2019-04-26
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2019-05-06 12:08:50 -04:00 |
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f163d7dc9b
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typo fix
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2019-05-05 08:56:15 -05:00 |
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4d4219ca3e
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integrate drip pair style more closely into manual
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2019-05-05 08:59:03 -04:00 |
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d86a7b95de
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fix spelling issues
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2019-05-05 08:48:27 -04:00 |
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24e41bc085
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Update doc and examples due to the change of parameters
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2019-05-04 22:24:05 -05:00 |
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