0c0b106924
Commit2 JT 051519
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- started doc pair_spin_dipole.txt
- renamed all pair/spin/dipole
- created and tested example pair/spin/dipole/cut
2019-05-15 20:49:05 -06:00
267782d689
Merge pull request #1459 from akohlmey/next-patch-release
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Step version string for next patch release
2019-05-14 21:30:28 -04:00
fd168068a1
Merge branch 'clean-master2' of github.com:julient31/lammps into pppm_spin
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Conflicts:
src/SPIN/fix_nve_spin.h
2019-05-14 17:41:58 -06:00
f2b293d93b
Merge pull request #1460 from akohlmey/collected-small-changes
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Some more small changes
2019-05-14 17:55:36 -04:00
6e842ba84a
fix typo
2019-05-14 17:36:26 -04:00
30dc7f70b5
correct repeated words in docs
2019-05-14 17:13:46 -04:00
67532684f9
add missing formatting info
2019-05-14 14:02:54 -06:00
091dbfa265
Merge pull request #1457 from julient31/fix_cubic_aniso
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Adding a cubic anisotropy in the SPIN package, documentation corrections
2019-05-14 15:08:21 -04:00
d8fb17e2cb
Step version string for next patch release
2019-05-14 10:01:43 -04:00
322c244bec
Merge pull request #1456 from akohlmey/fix-mapping-for-KC-etc
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Fix element mapping and a few other issues for interlayer potentials
2019-05-13 21:12:58 -04:00
52e3aeab33
revert incorrect changes in commands_list.txt
2019-05-13 21:05:26 -04:00
8e18f2bf7e
Commit2 JT 051319
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- corrected doc issues
2019-05-13 17:32:44 -06:00
11f223416c
Commit JT 051319
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- added a cubic anisotropy in fix_precession_spin
- added associated doc and examples
- corrected neb/spin commands in doc/src/
- added tools/spin/ description
2019-05-13 16:59:39 -06:00
805cc18b2d
Merge branch 'master' into e3b
2019-05-12 22:22:31 -05:00
c581e9349a
update interlayer potential examples for now requiring CH.rebo potential file with rebo pair style
2019-05-11 16:46:21 -04:00
a7c9560dc1
Merge pull request #1453 from mjwen/pair_drip
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add pair style drip
2019-05-10 20:44:28 -04:00
2bc089db27
mis-labeling of some rigid fixes
2019-05-10 07:42:11 -06:00
47cf17e5c8
Merge branch 'master' into pair_drip
2019-05-09 12:19:41 -04:00
928600a878
Merge pull request #1452 from akohlmey/github-rebo-bugfix
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Resubmission of REBO bugfix for easier review
2019-05-09 12:18:05 -04:00
7b2d526f86
Merge pull request #1448 from akohlmey/collected-small-changes
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Collected small changes and bugfixes
2019-05-09 12:17:19 -04:00
0034473e66
update legacy pdf manual input config
2019-05-08 10:19:21 -04:00
da75fc3eaa
incorporate compute_pe_e3b into compute_pair
2019-05-08 09:05:09 -05:00
711cd4122f
corrections to documentation and implementation of pair styles lj/mdf, buck/mdf, and lennard/mdf
2019-05-07 19:52:00 -04:00
45e6ed018e
correct formula for lennard/mdf potential
2019-05-07 19:45:13 -04:00
12f8834b80
correction of the incomplete implementation warning in write_coeff
2019-05-07 19:26:57 -04:00
a87d8e124f
Merge pull request #1449 from akohlmey/fix-print-w-variable-step
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Support using a variable instead of a constant interval for fix print
2019-05-06 12:10:42 -04:00
cc30688137
Merge pull request #1364 from stanmoore1/kk_binsize
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Change defaults for KOKKOS package
2019-05-06 12:10:08 -04:00
b3f4e2055e
Merge pull request #1438 from giacomofiorin/colvars-update
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Update Colvars library to version 2019-04-26
2019-05-06 12:08:50 -04:00
f163d7dc9b
typo fix
2019-05-05 08:56:15 -05:00
4d4219ca3e
integrate drip pair style more closely into manual
2019-05-05 08:59:03 -04:00
d86a7b95de
fix spelling issues
2019-05-05 08:48:27 -04:00
24e41bc085
Update doc and examples due to the change of parameters
2019-05-04 22:24:05 -05:00
fd3eade6d2
update reference date and examples for changes in REBO
2019-05-04 20:42:36 -04:00
c2b2be5d6f
Merge branch 'master' into github-rebo-bugfix
2019-05-04 19:09:52 -04:00
a70f9c4f95
support using a variable instead of a constant interval for fix print
2019-05-04 13:47:57 -04:00
4f3c87f8c4
Merge pull request #1423 from akohlmey/next-patch-release
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Step version string for next patch release
2019-04-30 19:52:35 -04:00
7e00acce53
Update Colvars library to version 2019-04-26
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The following is list of relevant issues fixed and improvements:
Fix forces and missing output of runtime histogram for histogramRestraint
https://github.com/Colvars/colvars/pull/246
Use fix_modify to add configuration to Colvars:
https://github.com/Colvars/colvars/pull/216
Fix componentCoeff and name not working with orientationAngle components:
https://github.com/Colvars/colvars/issues/213
Fix 1-timestep offset with extendedLagrangian:
https://github.com/Colvars/colvars/pull/210
Changes to improve compiler support:
https://github.com/Colvars/colvars/pull/203
Fix ignored anisotropic cutoff3 for groupCoordNum:
https://github.com/Colvars/colvars/pull/202
New dipoleMagnitude variable:
https://github.com/Colvars/colvars/pull/198
Parser improvements:
https://github.com/Colvars/colvars/pull/196
2019-04-30 13:46:37 -04:00
8d9697dbf6
Merge pull request #1420 from dsbolin/gran_mods
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Updates and bugfixes to GRANULAR package
2019-04-29 14:16:25 -04:00
f052509015
Merge pull request #1421 from julient31/gneb_spin
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Adding a GNEB implementation in the SPIN package
2019-04-29 14:14:58 -04:00
af8a71b1ad
while space and source formatting cleanup
2019-04-29 09:17:29 -04:00
21d0a16b6f
minor tweak
2019-04-25 18:06:09 -04:00
a9388e86e3
add one more false positive
2019-04-25 18:00:27 -04:00
80af0281d1
replace non-ASCII characters
2019-04-25 17:54:27 -04:00
8882436078
add e3b styles to legacy documentation build
2019-04-25 17:49:35 -04:00
8d9a44a837
set april 30th for next patch release
2019-04-25 16:55:46 -04:00
16fd5904ed
Commit2 JT 042519
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- slight correction in doc/src/command_list.txt
2019-04-25 09:31:57 -06:00
7c3f619e13
Commit JT 042519
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- moved examples/SPIN/gneb/interpolate/ toward
tools/spin/interpolate/gneb
- added gneb in the command files in doc/src
- modified the error messages in neb_spin.h/cpp
2019-04-25 09:18:33 -06:00
47d4aa6803
add new false positives
2019-04-24 17:35:17 -05:00
f548e2717e
add new false positives
2019-04-24 17:31:44 -05:00
a696b26301
Merge branch 'clean-master2' of github.com:julient31/lammps into pppm_spin
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Conflicts:
src/SPIN/pair_spin_exchange.cpp
src/atom.cpp
src/pair.cpp
2019-04-19 15:02:25 -06:00
