2132b1d904
update developer reference text
2022-10-24 11:08:26 -04:00
cccf3f6f78
change email for contacting LAMMPS developers, add to homepage checker
2022-10-20 20:36:03 -04:00
914f035475
a few more converted commands and updates for unit tests
2021-09-21 17:23:41 -04:00
09c19a936b
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
d1941392d3
disable clang-format for all existing .cpp files (for now)
2021-05-05 23:53:38 -04:00
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
2d7494186c
rerun all validations tests (modifed one)
2020-10-05 19:37:24 -06:00
121dc82f1b
Merge branch 'clean-master2' of https://github.com/julient31/lammps into exchange-biquadratic
2020-10-02 10:57:38 -06:00
84c104641b
adding offset option and doc
2020-10-02 10:47:29 -06:00
9aba7b0050
adding a kokkos/spin atom style
2020-09-28 15:42:26 -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
bb7447363c
more include cleanup and IWYU tweaks
2020-09-04 07:22:39 -04:00
6113169a47
IWYU based include statement cleanup
2020-09-02 17:39:34 -04:00
96d8d12a88
replace calls to force->*numeric() with the corresponding utils::*numeric()
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this also removes the now obsolete functions from Force
2020-08-29 20:31:02 -04:00
fcd0b9f78f
move Force::bounds() and Force::boundsbig() to utils.
2020-08-29 18:23:03 -04:00
10a3e85796
C1 JT 042220
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- added biquadratic pair/spin exchange
2020-04-22 11:53:08 -06:00
da36b252cc
remove even more trailing whitespace
2020-04-14 06:08:10 -04:00
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
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
89bb2ef83f
Commit JT 112219
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- improved figure in precession/spin documentation
- corrected other pair/spin interactions
2019-11-22 12:07:05 -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
816546d008
Commit3 JT 110419
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- comments in precession
2019-11-04 17:38:32 -07:00
22288e06b7
Merge branch 'master' into fix-compiler-warnings
2019-10-25 14:07:50 -04:00
73892711a5
mass replace calls to fread() with utils::sfread()
2019-10-19 09:25:49 -04:00
dee631878d
refactoring of SPIN pair class initialization to increase code reuse
2019-10-18 07:13:42 -04:00
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
2fad4e0f97
Commit JT 092419
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- corrected read_restart in exchange (same correct as in Neel)
2019-09-24 14:50:55 -06:00
b5621b2c90
Merge branch 'master' of github.com:alxvov/lammps into OSO
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Conflicts:
src/SPIN/neb_spin.cpp
2019-07-30 09:14:49 -06:00
bb325a335e
Commit1 JT 070919
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- test energy/torque modif with etotal
2019-07-10 09:52:39 -06:00
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
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
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
a696b26301
Merge branch 'clean-master2' of github.com:julient31/lammps into pppm_spin
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Conflicts:
src/SPIN/pair_spin_exchange.cpp
src/atom.cpp
src/pair.cpp
2019-04-19 15:02:25 -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
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
82d646cede
print warning about missing fix nve/spin only on MPI rank 0
2019-03-25 20:59:22 -04:00
7b3f952990
whitespace cleanup and dead code removal
2019-03-25 20:50:39 -04:00
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
0d4dbb8d73
Merge branch 'clean-master2' of github.com:julient31/lammps into gneb_spin
2019-03-19 09:01:27 -06:00
06a57dd659
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
14a00662e6
Commit JT 031119
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- first working version of spinmin
2019-03-11 13:04:03 -06:00
ab0c35be93
Commit JT 030419
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- correction of pair_spin calculations
- corrects an error between i and ii lists in single/pair calc.
2019-03-04 08:04:11 -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
9915a6725f
Commit JT 020419
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- correct in magelec (if ii<n)
- check correct, apply it to other pairs
2019-02-04 17:21:59 +01:00
1c795a6be3
remove trailing blanks
2018-12-01 21:38:22 -05:00
