3aba21f6e2
Merge pull request #4481 from akohlmey/collected-small-fixes
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Collected small fixes and changes
2025-03-14 18:10:14 -04:00
0004a384fe
fixed issues with several input scripts, added reference log files
2025-03-11 16:10:04 -05:00
1e819efcf8
update examples for consistency
2025-03-10 17:11:53 -04:00
08f8be18e5
rework SPIN restart/data file examples
2025-03-10 17:04:16 -04:00
e24b4bec01
Adding a new test problem for large damping in the LL equation.
2022-09-26 07:49:51 +02:00
080662683d
use tokenizer to read neb initial replica files
2022-03-22 20:54:42 -04:00
fb8074d294
renormalize line endings. add .gitattributes to configure them explicitly
2022-03-17 18:21:31 -04:00
58549fa10d
Merge branch 'clean-master2' of github.com:julient31/lammps into STT2
2021-04-19 17:32:16 -06:00
f2096ded96
- improved design of test_problem
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- cleaned up langevin/spin
- started doc for stt and hexaniso
2021-04-19 17:09:53 -06:00
455bb933c8
adding modifications for more than one fix langevin/spin in fix nve/spin
2021-04-12 16:18:22 -06:00
4975295e0f
- adding a force/clear equivalent for spins in verlet/kk
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- setting all validation problems for spin/kk
2021-04-01 11:45:16 -06:00
2d0aad1904
Merge branch 'spin-kokkos' of github.com:julient31/lammps into spin-kokkos
2021-03-30 10:39:27 -06:00
39dc3e69ba
Commit before pull
2021-03-30 10:35:25 -06:00
5646714470
update example inputs and logfile for fix_modify energy yes/no changes, where needed
2021-02-09 11:01:34 -05:00
73b2ad0acc
- slight modifs of the damped exchange example
2020-10-12 11:38:52 -06:00
c85498e98b
started to add spin/kk to the doc
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modified validaion tests for kokkos compatibility
2020-10-09 09:47:47 -06:00
4baf60ffd1
adding examples of the biquadratic pair_style and offset option
2020-10-05 20:47:07 -06:00
2d7494186c
rerun all validations tests (modifed one)
2020-10-05 19:37:24 -06:00
2825abb028
Improved scripts validaton problems
2020-10-05 17:13:54 -06:00
10a3e85796
C1 JT 042220
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- added biquadratic pair/spin exchange
2020-04-22 11:53:08 -06:00
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
