47a5d47582
Merge branch 'exchange-biquadratic' of https://github.com/julient31/lammps into exchange-biquadratic
2020-11-12 09:45:03 -07:00
497f0dd593
Removing binder and m2,m4 declarations from compute/spin
2020-11-12 09:43:38 -07:00
3991f704e1
Fix whitespace errors
2020-11-12 10:42:09 -05:00
bfb8f0f4c0
Merge branch 'clean-master2' of github.com:julient31/lammps into exchange-biquadratic
2020-10-27 09:41:19 -06:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
121dc82f1b
Merge branch 'clean-master2' of https://github.com/julient31/lammps into exchange-biquadratic
2020-10-02 10:57:38 -06:00
9aba7b0050
adding a kokkos/spin atom style
2020-09-28 15:42:26 -06:00
901fe9d3aa
modification of pair spin exchange/biquadratic, to offset
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ground state spin pressure
2020-09-15 18:22:11 -06:00
f1ef7d85a8
T2345: Replace instances of NULL with nullptr
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The following changes have been applied to src and lib folders:
regex replace: ([^"_])NULL ⇒ \1nullptr (8968 chgs in src, 1153 in lib)
Manually find/change: (void \*) nullptr ⇒ nullptr (1 case)
regex find: ".*?nullptr.*?"
Manually ~14 cases back to "NULL" in src, ~2 in lib
regex finds a few false positive where nullptr appears between two
strings in a function call
2020-09-12 09:34:38 -06:00
6113169a47
IWYU based include statement cleanup
2020-09-02 17:39:34 -04:00
dc7853956a
remove trailing whitespace
2020-04-14 06:01:07 -04:00
38343f3c03
C2 JT 041320
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- removing a commented line
2020-04-13 08:05:06 -06:00
8fabd79440
Commit JT 041320
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- corrected pair/spin to recover tests
2020-04-13 07:53:27 -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
09d0df43e2
Commit JT 022120
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- added message for only one precession/spin (+doc)
- added a per pair/spin class emag table
2020-02-21 17:53:14 -07:00
361f7bb0fd
Commit JT 022120
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- added precession_spin management in compute_spin
- to do: add it for pairs
- make sure users only declare 1 precession/spin
2020-02-21 12:07:42 -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
cedcc6fc50
Commit JT 111519
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- modified documentation spin (compute and exchange)
- modified compute spin for Ts
2019-11-15 09:27:02 -07:00
f80c527b17
Commit JT 100619
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- modified precession and Langevin/spin
2019-11-06 14:15:25 -07:00
816546d008
Commit3 JT 110419
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- comments in precession
2019-11-04 17:38:32 -07:00
06dcc9e283
Merge branch 'master' into improve-include-consistency
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# Conflicts:
# src/USER-MESO/atom_vec_tdpd.cpp
2019-07-09 14:50:00 -04:00
416911aa7e
more rearranging of include file order to put implementation headers first
2019-07-03 21:57:39 -04:00
fc1d8f2cbf
more cleanup of include file handling. starting to work on files in packages
2019-07-02 05:15:30 -04:00
7547e1dae6
make certain that the vector storage and the size_vector variable are consistent in computes
2019-07-01 17:25:02 -04:00
7b3f952990
whitespace cleanup and dead code removal
2019-03-25 20:50:39 -04:00
28993d9823
Commit JT 072618
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- improvements documentation (dmi and exchange)
- correction error cross product in pair_spin_dmi.cpp
- implementation mech. part in pair_spin_dmi.cpp
- correction in all pairs: init_one for [j][i] couples
- correction in atom_vec_spin.cpp: index error in read_data
- some improvements in pair_spin_dmi.cpp and pair_spin_magelec.cpp
2018-07-27 12:00:15 +02:00
1ed25d195b
convert c-style includes for c-library calls to c++-style
2018-07-10 09:48:49 -04:00
792b182cb0
whitespace cleanup
2018-07-10 09:46:08 -04:00
ade9b7bfc3
Commit2 JT 070918
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- modified the citeme reference (replaced by the JCP one)
- same modification in doc and src/SPIN
2018-07-10 09:44:14 -04:00
da5931d65d
whitespace cleanup
2018-06-18 17:55:12 -04:00
99f4274483
Commit JT 052418 rm comments
2018-05-24 06:59:40 -06:00
102be8dd8b
Commit JT 052318
2018-05-23 11:23:39 -06:00
437e854741
Commit JT 051118 before CEA
2018-05-11 15:24:26 -06:00
ce80d1a3ea
Commit JT 041618
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Enabling multiple exchange interactions
2018-04-26 15:26:31 -06:00
a315599bac
Commit modifs before release 1 (03/26/18)
2018-04-26 15:26:31 -06:00
7990826ca2
Commit JT 021518
2018-04-26 15:21:41 -06:00
f409f4ff53
Commit JT 021318
2018-04-26 15:02:15 -06:00
6490ee46b7
Commit JT 020618
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- Documentation
- Memory leaks solved
2018-04-26 14:58:43 -06:00
5b93fc6a27
Commit JT 011617
2018-04-26 14:58:43 -06:00
f4bb33de4b
Memory corrections
2018-04-26 14:58:42 -06:00
b219392d59
Commit before pull on SOLO
2018-04-26 14:58:41 -06:00
f6b4587fe8
Commit Julien 10/24/17
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Correction in the pair/exchange for energy preservation
2018-04-26 14:58:41 -06:00
72d9795d7f
Commit Julien 10/19/2017
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- New files for the pair interactions
- New files for the documentation
- Spin orbit coupling via Neel approach
2018-04-26 14:58:41 -06:00
54832a8fe4
Commit Julien 09/14/17
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- Changes and corrections in the computation of the energy
- Issue with newton_pair in the compute of pair
2018-04-26 14:58:41 -06:00
d144ab0164
Commit Julien 09/06/17
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- units of J1_mag and J1_mech
- correct of pack and unpack in atom_vec_spin
- add conditions in fix_integration_spin
2018-04-26 14:58:41 -06:00
3de0cf5ab4
Commit Julien 2 08/23/17
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- reorganized includes
- start work on magneto-mechanic potential (adding function)
- renamed fix_nve_spin into fix_integration_spin
2018-04-26 14:58:41 -06:00
8a56b8ad3a
First version of the parallel algorithm
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Performed by sectoring (1, 2, 4, or 8 chuncks) each process.
2018-04-26 13:08:54 -06:00
4d375e72f0
Changes: - DMI and ME interactions
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- Computation optimisations
- lot of removed prints
Next work: - Sequential algo implemetation
- temperature simulations (check)
- Work on parallelization
2018-04-26 13:08:54 -06:00
d53def5853
Field compute error apparently corrected. The issue was related to the reverse communication.
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To do:
- Remove all checks/prints used to debug
- Check all the flag set in the atom_vec_spin creator (very important for the reverse comm)
- Code DMI/ME interactions
- Start to work on parallel implementation of the integration
2018-04-26 13:08:54 -06:00
