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
e4c6c46b4c
Commit JT 010318 (before APS)
2018-04-26 15:21:41 -06:00
7990826ca2
Commit JT 021518
2018-04-26 15:21:41 -06:00
fa499ff95d
Commit JT 021318
2018-04-26 15:21:41 -06:00
86cfbb3010
Delete in.spin.read_data
2018-04-26 15:15:16 -06:00
f409f4ff53
Commit JT 021318
2018-04-26 15:02:15 -06:00
eab737a45c
Delete Co_PurjaPun_2012.eam.alloy
2018-04-26 15:01:43 -06:00
b422480002
Commit JT 021318
2018-04-26 15:01:43 -06:00
3d18f55155
commit JT 020818
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- adding files for doc and reorg.
2018-04-26 15:01:43 -06:00
6490ee46b7
Commit JT 020618
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- Documentation
- Memory leaks solved
2018-04-26 14:58:43 -06:00
642c8f9859
Commit JT 020518
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Begin work documentation
2018-04-26 14:58:43 -06:00
755bda2275
Commit JT 020118
2018-04-26 14:58:43 -06:00
05a7e5011f
Commit JT 012318
2018-04-26 14:58:43 -06:00
3abb7f0eaf
Commit JT 011718
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Correction bug in fix/integration/spin
2018-04-26 14:58:43 -06:00
5b93fc6a27
Commit JT 011617
2018-04-26 14:58:43 -06:00
1e096d77ef
Commit JT 011518
2018-04-26 14:58:43 -06:00
38e940a392
beautyfy shell script
2018-04-26 14:58:43 -06:00
