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
edd4b0cf25
Commit JT 030419
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- added minspin
- modifs before co
2019-03-04 07:35:02 -07:00
9fcd69921f
Commit JT 020419
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- neb/spin implemneted
- rotational initial states to be implemented
- climbing image to be implemented
2019-02-04 11:27:00 -07:00
08b1728a96
Commit JT 012919
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- commit tuesday evening, second day imp.
- dev. fix_neb_spin
2019-01-29 13:05:03 -07:00
7a2d326103
Commit JT 010819
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- commit before co
2019-01-08 09:19:49 -07:00
d66a1ac054
Commit JT 111318
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- corrections pair/spin/dipolar/long
2018-11-13 17:03:32 -07:00
9727fdc473
Commit JT 110818
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- correct bug (match ewald/disp results for vir)
- started correct mag. part
2018-11-08 16:17:43 -07:00
a745a0aed0
Commit JT 100318
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- correction forces ewald_dipole
- correction mag. dipolar energy
2018-10-03 10:23:58 -06:00
19aaf294e5
Commit JT 092718
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- renamed pair/spin/long functions
- started to work on debugging ewald_dipole (force errors)
2018-09-27 10:46:52 -06:00
5a6226caa5
jive src headers with doc page entries and example scripts
2018-09-25 10:50:43 -06:00
6b4303c405
Commit2 JT 092418
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- initialized g_ewald before Newton solver
- mu2 is now adim in ewald_dipole_spin
2018-09-24 16:40:59 -06:00
53a779067e
Commit JT 092418
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- ewald_dipole_spin added
- accuracy problem (with eval of gewald and Newton solver)
2018-09-24 10:59:17 -06:00
cce9fe4a34
Commit2 JT 092118
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- created pair_spin_dipolar_cut
- real-space short-range calc of the spin dipolar interaction
- run and check valgrind ok
2018-09-21 09:55:41 -06:00
82a5346ab1
Commit JT 091418
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- created pair_spin_long_qsymp
- modified ewald_dipole
2018-09-14 15:09:59 -06:00
16911adcea
Commit1 JT 083018
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- started to work on ewald_dipole (not yet triclinic)
- compiles and runs (no memory issue)
- check the energy accuracy
2018-08-30 07:33:25 -06:00
cf1d421e10
Commit JT 082318
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- corrected memory errors in pppm_dipole and pppm_dipole_spin
- created fm_long in atom_vec_spin
- fm_long added to fm in initial_integrate (in ComputeInteractionsSpin)
2018-08-23 15:18:30 -06:00
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
9d5dc561ca
Commit1 JT 070918
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- created README in examples/SPIN
- modified doc/src/set.txt to define 'spin' and 'spin/random' keywords
2018-07-10 09:44:14 -04:00
d3b83885d1
make SPIN package examples consistent with other examples and add reference logs
2018-06-27 14:06:56 -04:00
244963aa19
fix incorrect scaling of emag bug
2018-06-27 12:29:34 -04:00
6008cee6aa
...and replace with symbolic links
2018-06-26 16:02:56 -04:00
f33a2c982c
remove redundant potential files
2018-06-26 16:01:54 -04:00
06b3209ad8
Commit JT 062518
2018-06-25 09:56:39 -06:00
4a88f53d22
adjust input files for changed paths
2018-06-18 19:17:25 -04:00
6457e5eedb
Commit1 JT 052918 modifs files
2018-05-29 14:51:21 -06:00
5f0e6d0aa7
Commit JT2 052418
2018-05-24 12:55:39 -06:00
437e854741
Commit JT 051118 before CEA
2018-05-11 15:24:26 -06:00
392816a807
Commit JT 042418
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- adding the README
- some corrects pair_spin*.cpp/h
2018-04-26 15:26:31 -06:00
1b8669c620
Commit JT 042018, new spin/precession and pair/spin (peru virtual)
2018-04-26 15:26:31 -06:00
ce80d1a3ea
Commit JT 041618
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Enabling multiple exchange interactions
2018-04-26 15:26:31 -06:00
8709f6044b
Commit modifs before release 2 (04/02/18)
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
08bc115380
Commit before meeting 032218
2018-04-26 15:26:13 -06:00
65b7e43a91
Examples and docs
2018-04-26 15:25:23 -06:00
2a3b93ca3d
First commits last version doc
2018-04-26 15:21:41 -06:00
