Commit Graph

96 Commits

Author SHA1 Message Date
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
julient31 70c816aa02 Commit JT 041019
- corrected setforce/spin
- added an example
- added the documentation (in setforce)
- updated the Howto_spin documentation
2019-04-10 13:18:33 -06:00
julient31 1501e9ba8a Commit3 JT 040819
- README and interpolate.c for in examples/SPIN/gneb/interpolate/
2019-04-08 11:22:02 -06:00
julient31 da16a7e50b Commit JT 040519
- 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
julient31 e45e92b1cb Commit JT 040319
- improved examples
- start rework gneb init. (Rodrigues' formula)
2019-04-03 11:24:37 -06:00
julient31 0b8332cedf Commit2 JT 040119
- improved verbose output
- work on examples
2019-04-01 17:52:59 -06:00
julient31 b8747ce8fb Merge branch 'clean-master2' of github.com:julient31/lammps into gneb_spin
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
julient31 81a4d293db Commit4 JT 032519
- corrected documentation (errors in min_spin.txt and
min_modify.txt)
- changed the code accordingly
2019-03-25 15:43:58 -06:00
julient31 30be5e94d9 Commit3 JT 032519
- updated the README file
- updated examples/SPIN/spinmin/
2019-03-25 14:22:16 -06:00
julient31 7a00997a14 Commit2 JT 032519
- 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
julient31 a726362888 Commit JT 032519
- adding all min files into new branch
- preparing branch for pull request of spin minimizer
2019-03-25 12:57:42 -06:00
julient31 2cbf56846a Commit JT 032019
- 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
julient31 033a5c2721 Commit JT 031419
- cleaned fix_neb_spin
- first working version
2019-03-14 11:07:24 -06:00
julient31 f6fb8b220d Commit 2 JT 031219
- modified examples (gneb and spinmin now distinct)
- started documention for spinmin
2019-03-12 16:59:13 -06:00
julient31 cc2b5fbb80 Commit JT 031119
- add min_post_force in precession
2019-03-11 17:37:44 -06:00
julient31 5fff18932d Commit 2 JT 031119
- new input files gneb and spinmin
2019-03-11 13:23:55 -06:00
julient31 14a00662e6 Commit JT 031119
- first working version of spinmin
2019-03-11 13:04:03 -06:00
julient31 edd4b0cf25 Commit JT 030419
- added minspin
- modifs before co
2019-03-04 07:35:02 -07:00
julient31 9fcd69921f Commit JT 020419
- neb/spin implemneted
- rotational initial states to be implemented
- climbing image to be implemented
2019-02-04 11:27:00 -07:00
julient31 08b1728a96 Commit JT 012919
- commit tuesday evening, second day imp.
- dev. fix_neb_spin
2019-01-29 13:05:03 -07:00
julient31 7a2d326103 Commit JT 010819
- commit before co
2019-01-08 09:19:49 -07:00
julient31 d66a1ac054 Commit JT 111318
- corrections pair/spin/dipolar/long
2018-11-13 17:03:32 -07:00
julient31 9727fdc473 Commit JT 110818
- correct bug (match ewald/disp results for vir)
- started correct mag. part
2018-11-08 16:17:43 -07:00
julient31 a745a0aed0 Commit JT 100318
- correction forces ewald_dipole
- correction mag. dipolar energy
2018-10-03 10:23:58 -06:00
julient31 19aaf294e5 Commit JT 092718
- renamed pair/spin/long functions
- started to work on debugging ewald_dipole (force errors)
2018-09-27 10:46:52 -06:00
Steve Plimpton 5a6226caa5 jive src headers with doc page entries and example scripts 2018-09-25 10:50:43 -06:00
julient31 6b4303c405 Commit2 JT 092418
- initialized g_ewald before Newton solver
- mu2 is now adim in ewald_dipole_spin
2018-09-24 16:40:59 -06:00
julient31 53a779067e Commit JT 092418
- ewald_dipole_spin added
- accuracy problem (with eval of gewald and Newton solver)
2018-09-24 10:59:17 -06:00
julient31 cce9fe4a34 Commit2 JT 092118
- 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
julient31 82a5346ab1 Commit JT 091418
- created pair_spin_long_qsymp
- modified ewald_dipole
2018-09-14 15:09:59 -06:00
julient31 16911adcea Commit1 JT 083018
- 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
julient31 cf1d421e10 Commit JT 082318
- 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
julient31 28993d9823 Commit JT 072618
- 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
julient31 9d5dc561ca Commit1 JT 070918
- 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
Axel Kohlmeyer d3b83885d1 make SPIN package examples consistent with other examples and add reference logs 2018-06-27 14:06:56 -04:00
Axel Kohlmeyer 244963aa19 fix incorrect scaling of emag bug 2018-06-27 12:29:34 -04:00
Axel Kohlmeyer 6008cee6aa ...and replace with symbolic links 2018-06-26 16:02:56 -04:00