5eee4cb1ba
C4 JT 041420
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- reran all SPIN examples
2020-04-14 15:44:15 -06:00
22aab4406e
Commit3 033020
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- re-checked all validation problems, ready for PR
2020-03-30 09:32:46 -06:00
547d29d030
Commit2 JT 300320
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- regenerated all spin examples
2020-03-30 08:55:54 -06:00
51e3f9dcda
Commit JT 033020
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- 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
a739b8c6b7
Commit JT 030320
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- 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
8bca0b13f1
Commit2 JT 112219
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- 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
b4ba356f7b
Commit JT 111919
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- generated fresh log. files in examples
- corrected some of the examples
2019-11-19 15:50:56 -07:00
a0c51b40b9
Commit2 JT 111919
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- renaming validation directory
2019-11-19 12:54:30 -07:00
b109fd1687
Commit JT 111919
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- modified named of tests, from benchmark to validation
2019-11-19 12:50:52 -07:00
0346a3d6d1
Commit JT 111519
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- add README file to the benchmark examples repo
- removed comments from src/SPIN files
2019-11-15 10:53:39 -07:00
93bd2f4ab0
Commit JT 111319
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- addind 4 first benchmark examples (in examples/SPIN/benchmark)
- corrected typo in examples (in dump commands)
2019-11-13 20:46:28 -07:00
d64bc2a1b7
Commit JT 110419
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- commit changes examples
2019-11-04 08:05:07 -07:00
ed467d8867
Merge branch 'master' of github.com:alxvov/lammps into OSO
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- solved conflict in doc/src/fix_nve_spin.txt
2019-10-04 08:56:49 -06:00
a0974bc09d
Commit JT 092419
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- 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
bc0ff0db61
Commit2 JT 092319
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- 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
8ec4e3fc91
Commit JT 082219
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- 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
9609c75073
Use descent condition, and no line search as a default option for
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all oso
2019-07-30 11:16:40 +00:00
f9ed12be4f
modify line for spin_cubic, spin_none. edit docs a bit.
2019-07-24 23:21:07 +00:00
f1c3b9d0bf
Commit2 JT 072319
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- corrected some mistakes in doc files
- modified oso examples to match new line options
2019-07-23 11:24:52 -06:00
f0679cff6d
Commit JT 072319
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- added 2 oso examples in examples/SPIN/spinmin
- added doc for oso_cg and oso_lbfgs
2019-07-23 09:27:15 -06:00
35be1724e3
Commit JT 052819
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- 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
82b50706bd
Commit2 JT 052019
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- some corrections in the examples
- deleted an old doc files (now redundant)
2019-05-20 22:09:59 -06:00
e90eed9120
Commit JT 052019
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- deleted old doc
- renamed new doc files
2019-05-20 21:48:05 -06:00
5f2f7d1575
Merge branch 'pppm_spin' of github.com:julient31/lammps into pppm_spin
2019-05-20 21:35:52 -06:00
3e60ec9be1
Merge branch 'clean-master2' of github.com:julient31/lammps into pppm_spin
2019-05-20 21:35:16 -06:00
fbb78e7b78
Commit JT 051719
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- 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
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
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
2c51511325
update logfiles for SPIN package with cubic anisotropy
2019-05-14 15:49:41 -04:00
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
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
97baee4931
Commit2 JT 042919
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- modified energy/torque tolerance for faster convergence in
examples/SPIN/gneb/skyrmion/in.gneb.skyrmion
2019-04-29 08:23:57 -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
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
70c816aa02
Commit JT 041019
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- corrected setforce/spin
- added an example
- added the documentation (in setforce)
- updated the Howto_spin documentation
2019-04-10 13:18:33 -06:00
1501e9ba8a
Commit3 JT 040819
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- README and interpolate.c for in examples/SPIN/gneb/interpolate/
2019-04-08 11:22:02 -06:00
da16a7e50b
Commit JT 040519
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- initial rotation with Rodrigues' formula + exception
- worked on neb_spin documentation
- removed pair/spin warning for neb/spin
2019-04-05 13:22:46 -06:00
e45e92b1cb
Commit JT 040319
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- improved examples
- start rework gneb init. (Rodrigues' formula)
2019-04-03 11:24:37 -06:00
0b8332cedf
Commit2 JT 040119
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- improved verbose output
- work on examples
2019-04-01 17:52:59 -06:00
b8747ce8fb
Merge branch 'clean-master2' of github.com:julient31/lammps into gneb_spin
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Conflicts:
doc/src/min_modify.txt
doc/src/min_spin.txt
examples/SPIN/spinmin/in.spinmin.bfo
examples/SPIN/spinmin/in.spinmin.iron
src/SPIN/fix_precession_spin.cpp
src/SPIN/min_spin.cpp
src/SPIN/min_spin.h
src/SPIN/pair_spin_dmi.cpp
src/SPIN/pair_spin_exchange.cpp
2019-03-26 10:59:21 -06:00
81a4d293db
Commit4 JT 032519
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- corrected documentation (errors in min_spin.txt and
min_modify.txt)
- changed the code accordingly
2019-03-25 15:43:58 -06:00
30be5e94d9
Commit3 JT 032519
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- updated the README file
- updated examples/SPIN/spinmin/
2019-03-25 14:22:16 -06:00
7a00997a14
Commit2 JT 032519
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- added equations for documentation
- updated examples (not calling fix nve/spin)
- replaced error message by warning in all pair/spin
2019-03-25 14:03:28 -06:00
a726362888
Commit JT 032519
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- adding all min files into new branch
- preparing branch for pull request of spin minimizer
2019-03-25 12:57:42 -06:00
2cbf56846a
Commit JT 032019
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- moved gneb files from src/REPLICA to src/SPIN
- changed name of min/spin
- implemented read_param in min.cpp and min_spin.cpp
- set sp_flag tests in min_spin.cpp and neb_spin.cpp
2019-03-20 10:41:36 -06:00
033a5c2721
Commit JT 031419
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- cleaned fix_neb_spin
- first working version
2019-03-14 11:07:24 -06:00
f6fb8b220d
Commit 2 JT 031219
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- modified examples (gneb and spinmin now distinct)
- started documention for spinmin
2019-03-12 16:59:13 -06:00
cc2b5fbb80
Commit JT 031119
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- add min_post_force in precession
2019-03-11 17:37:44 -06:00
5fff18932d
Commit 2 JT 031119
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- new input files gneb and spinmin
2019-03-11 13:23:55 -06:00
14a00662e6
Commit JT 031119
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- first working version of spinmin
2019-03-11 13:04:03 -06:00
julient31