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132 Commits

Author SHA1 Message Date
Julien Tranchida
e24b4bec01 Adding a new test problem for large damping in the LL equation. 2022-09-26 07:49:51 +02:00
Axel Kohlmeyer
080662683d use tokenizer to read neb initial replica files 2022-03-22 20:54:42 -04:00
Axel Kohlmeyer
fb8074d294 renormalize line endings. add .gitattributes to configure them explicitly 2022-03-17 18:21:31 -04:00
julient31
58549fa10d Merge branch 'clean-master2' of github.com:julient31/lammps into STT2 2021-04-19 17:32:16 -06:00
julient31
f2096ded96 - improved design of test_problem 
- cleaned up langevin/spin
- started doc for stt and hexaniso
 2021-04-19 17:09:53 -06:00
julient31
455bb933c8 adding modifications for more than one fix langevin/spin in fix nve/spin 2021-04-12 16:18:22 -06:00
julient31
4975295e0f - adding a force/clear equivalent for spins in verlet/kk 
- setting all validation problems for spin/kk
 2021-04-01 11:45:16 -06:00
julient31
2d0aad1904 Merge branch 'spin-kokkos' of github.com:julient31/lammps into spin-kokkos 2021-03-30 10:39:27 -06:00
julient31
39dc3e69ba Commit before pull 2021-03-30 10:35:25 -06:00
Axel Kohlmeyer
5646714470 update example inputs and logfile for fix_modify energy yes/no changes, where needed 2021-02-09 11:01:34 -05:00
julient31
73b2ad0acc - slight modifs of the damped exchange example 2020-10-12 11:38:52 -06:00
julient31
c85498e98b started to add spin/kk to the doc 
modified validaion tests for kokkos compatibility
 2020-10-09 09:47:47 -06:00
julient31
4baf60ffd1 adding examples of the biquadratic pair_style and offset option 2020-10-05 20:47:07 -06:00
julient31
2d7494186c rerun all validations tests (modifed one) 2020-10-05 19:37:24 -06:00
julient31
2825abb028 Improved scripts validaton problems 2020-10-05 17:13:54 -06:00
julient31
10a3e85796 C1 JT 042220 
- added biquadratic pair/spin exchange
 2020-04-22 11:53:08 -06:00
julient31
5eee4cb1ba C4 JT 041420 
- reran all SPIN examples
 2020-04-14 15:44:15 -06:00
julient31
22aab4406e Commit3 033020 
- re-checked all validation problems, ready for PR
 2020-03-30 09:32:46 -06:00
julient31
547d29d030 Commit2 JT 300320 
- regenerated all spin examples
 2020-03-30 08:55:54 -06:00
julient31
51e3f9dcda Commit JT 033020 
- modified all spin pairs (match nve)
- correct doc min_modify
- correct code max norm (square values)
- added draft nvt validation
 2020-03-30 08:09:11 -06:00
julient31
a739b8c6b7 Commit JT 030320 
- modified fix/precession for correct mag energy calc.
- reran all benchmark / examples in serial for verif
- to do: rerun mpi examples, and clean code
 2020-03-03 07:32:13 -07:00
julient31
8bca0b13f1 Commit2 JT 112219 
- correcting issue in src/SPIN/atom_vec_spin.cpp (inconsistency packing/unpacking hybrid)
- rerunning all examples with corrections of former commit
 2019-11-22 16:29:37 -07:00
julient31
b4ba356f7b Commit JT 111919 
- generated fresh log. files in examples
- corrected some of the examples
 2019-11-19 15:50:56 -07:00
julient31
a0c51b40b9 Commit2 JT 111919 
- renaming validation directory
 2019-11-19 12:54:30 -07:00
julient31
b109fd1687 Commit JT 111919 
- modified named of tests, from benchmark to validation
 2019-11-19 12:50:52 -07:00
julient31
0346a3d6d1 Commit JT 111519 
- add README file to the benchmark examples repo
- removed comments from src/SPIN files
 2019-11-15 10:53:39 -07:00
julient31
93bd2f4ab0 Commit JT 111319 
- addind 4 first benchmark examples (in examples/SPIN/benchmark)
- corrected typo in examples (in dump commands)
 2019-11-13 20:46:28 -07:00
julient31
d64bc2a1b7 Commit JT 110419 
- commit changes examples
 2019-11-04 08:05:07 -07:00
julient31
ed467d8867 Merge branch 'master' of github.com:alxvov/lammps into OSO 
- solved conflict in doc/src/fix_nve_spin.txt
 2019-10-04 08:56:49 -06:00
julient31
a0974bc09d Commit JT 092419 
- changed the nve/spin lattice option
- from (yes/no) to (moving/frozen)
- changed the doc and all examples
 2019-09-24 15:58:22 -06:00
julient31
bc0ff0db61 Commit2 JT 092319 
- added enum to min.h (for norm choice)
- completed doc min_modify
- corrected torque tol issue in spin/min
 2019-09-23 13:48:33 -06:00
julient31
8ec4e3fc91 Commit JT 082219 
- modified min spin names (removed oso from spin/cg and spin/lbfgs)
- modified associated option name (from spin_oso_cg to spin/cg, same for
lbfgs)
- modified .gitignore, doc pages, and examples accordingly
 2019-08-22 10:48:58 -06:00
alxvov
9609c75073 Use descent condition, and no line search as a default option for 
all oso
 2019-07-30 11:16:40 +00:00
alxvov
f9ed12be4f modify line for spin_cubic, spin_none. edit docs a bit. 2019-07-24 23:21:07 +00:00
julient31
f1c3b9d0bf Commit2 JT 072319 
- corrected some mistakes in doc files
- modified oso examples to match new line options
 2019-07-23 11:24:52 -06:00
julient31
f0679cff6d Commit JT 072319 
- added 2 oso examples in examples/SPIN/spinmin
- added doc for oso_cg and oso_lbfgs
 2019-07-23 09:27:15 -06:00
julient31
35be1724e3 Commit JT 052819 
- corrected examples in examples/SPIN/dipole_spin
- modified warning message in src/SPIN/pair_spin_dipole_*.cpp
 2019-05-28 15:31:03 -06:00
julient31
82b50706bd Commit2 JT 052019 
- some corrections in the examples
- deleted an old doc files (now redundant)
 2019-05-20 22:09:59 -06:00
julient31
e90eed9120 Commit JT 052019 
- deleted old doc
- renamed new doc files
 2019-05-20 21:48:05 -06:00
julient31
5f2f7d1575 Merge branch 'pppm_spin' of github.com:julient31/lammps into pppm_spin 2019-05-20 21:35:52 -06:00
julient31
3e60ec9be1 Merge branch 'clean-master2' of github.com:julient31/lammps into pppm_spin 2019-05-20 21:35:16 -06:00
julient31
fbb78e7b78 Commit JT 051719 
- removed qsymp pair style
- cleaned doc (pair/spin/diole and kspace_style)
- cleaned kspace .cpp/h files
 2019-05-17 15:04:14 -06:00
julient31
0c0b106924 Commit2 JT 051519 
- 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
julient31
fd168068a1 Merge branch 'clean-master2' of github.com:julient31/lammps into pppm_spin 
Conflicts:
	src/SPIN/fix_nve_spin.h
 2019-05-14 17:41:58 -06:00
Axel Kohlmeyer
2c51511325 update logfiles for SPIN package with cubic anisotropy 2019-05-14 15:49:41 -04:00
julient31
11f223416c 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
 2019-05-13 16:59:39 -06:00
Axel Kohlmeyer
f052509015 Merge pull request #1421 from julient31/gneb_spin 
Adding a GNEB implementation in the SPIN package
 2019-04-29 14:14:58 -04:00
julient31
97baee4931 Commit2 JT 042919 
- modified energy/torque tolerance for faster convergence in
examples/SPIN/gneb/skyrmion/in.gneb.skyrmion
 2019-04-29 08:23:57 -06:00
julient31
7c3f619e13 Commit JT 042519 
- 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
julient31
a696b26301 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
 2019-04-19 15:02:25 -06:00