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daa53e3008
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Merge pull request #1469 from julient31/pppm_spin
Adding PPPM and Ewald solvers for electric dipoles and magnetic spins
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2019-06-12 14:50:18 -04:00 |
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8e43a45925
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Detect and error out on invalid kspace mesh settings. make coulomb and dispersion settings consistent
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2019-06-05 01:10:44 -04:00 |
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a696b26301
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Merge branch 'clean-master2' of github.com:julient31/lammps into pppm_spin
Conflicts:
src/SPIN/pair_spin_exchange.cpp
src/atom.cpp
src/pair.cpp
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2019-04-19 15:02:25 -06:00 |
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985fc86aa3
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use ev_init for kspace
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2019-03-13 17:55:30 +01:00 |
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7deb1df2b6
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split kspace style constructor into plain constructor and settings() method
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2018-10-18 16:30:45 -04:00 |
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ff2e13e063
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Merge branch 'master' into ScaFaCoS
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2018-09-04 21:35:46 -04:00 |
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e9bc939098
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Fix more unused parameter warnings (#1076)
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2018-08-23 12:22:44 -06:00 |
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5e287033f7
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Commit1 JT 081618
- converted pppm_spin for long range spin-spin interactions
- modified kspace, pair,and pair_hybrid to add spinflag
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2018-08-16 10:13:18 -06:00 |
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062c1a04fc
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Commit JT 081418
- initial commit pppm_spin branch
- copied short_range spin files (src/SPIN)
- copied/renamed Stan's file (from pppm_dipole branch)
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2018-08-14 14:42:01 -06:00 |
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b0c9fde1dd
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more changes from Steve
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2018-07-18 15:32:03 -06:00 |
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e4071d7f46
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replace C-style include files with their C++ equivalents
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2018-04-27 18:00:24 -04:00 |
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ee862d8bf5
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replace leading tabs
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2018-03-16 12:34:33 -04:00 |
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c4ea2f2b34
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update long-range coulomb message formatting, so it fits better into other kspace output
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2018-02-16 14:24:33 +01:00 |
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a641e40e79
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use Error::message() instead of Error::warning() to report whether coulomb tables are used or not
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2018-02-16 14:11:58 +01:00 |
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683023d820
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Adding alloc flag to ev_setup
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2017-03-08 12:36:23 -07:00 |
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a5c6104d64
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Initialize pointers in KSPACE
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2016-11-07 16:54:59 +01:00 |
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c46be7db62
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changes to imbalance weight factors
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2016-10-05 10:33:39 -06:00 |
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b4785cd038
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Adding Kokkos version of PPPM
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15535 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-09-01 20:53:40 +00:00 |
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4314ef01f6
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14876 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-04-26 18:32:11 +00:00 |
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354e20f431
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-10-30 20:04:06 +00:00 |
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ccac6df71d
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13129 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-02-19 23:17:27 +00:00 |
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9312336d24
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13112 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-02-13 22:15:04 +00:00 |
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1eb5be1591
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12950 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-01-19 22:14:11 +00:00 |
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aaa76b5649
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Fixing bug
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12730 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-11-19 15:56:24 +00:00 |
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f350cc4ec7
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12637 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-10-20 21:17:46 +00:00 |
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166a9c5bc7
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12621 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-10-07 23:03:23 +00:00 |
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f45b388d12
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Fixing a bug in the kspace error estimator for triclinic systems
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12529 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-09-23 22:29:05 +00:00 |
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71f5c17f67
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12368 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-08-27 16:25:02 +00:00 |
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df5c028ad4
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12238 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-08-01 14:42:32 +00:00 |
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e8dd5814f3
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12233 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-07-30 17:37:50 +00:00 |
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fe1ade5fad
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12231 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-07-30 14:59:20 +00:00 |
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bfd3e3a684
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11757 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-04-09 16:51:15 +00:00 |
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d54bd651a3
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11646 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-03-19 19:00:18 +00:00 |
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7b291636cf
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11633 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-03-14 22:28:09 +00:00 |
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9fe494cc6a
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11380 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-01-29 18:59:46 +00:00 |
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74be71df0b
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11267 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-01-20 23:54:27 +00:00 |
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7b71c0dfd5
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Added kmax/ewald keyword
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10852 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-10-03 22:20:29 +00:00 |
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b292458b40
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10135 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-06-27 23:52:42 +00:00 |
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440d389779
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10130 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-06-27 23:50:33 +00:00 |
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5b7440bf64
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10034 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-06-06 14:54:57 +00:00 |
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7f18289ee3
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10010 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-06-04 14:55:56 +00:00 |
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7018102f9f
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2013-05-08 21:08:55 +00:00 |
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bfdbe3ab87
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2013-05-08 20:48:19 +00:00 |
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817ed05528
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2013-02-12 17:13:48 +00:00 |
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c7de837724
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2013-01-17 16:01:06 +00:00 |
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a67b94ddb7
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2013-01-02 16:15:05 +00:00 |
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c62169953b
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8982 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-10-19 16:02:26 +00:00 |
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8ac15dc83f
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8976 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-10-19 15:34:11 +00:00 |
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6a4b2a601c
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8972 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-10-16 18:51:02 +00:00 |
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fe2278f1b7
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8952 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-10-12 19:45:06 +00:00 |
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