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
67f6adebb7
whitespace fixup with dynamic casts
2022-09-10 13:26:38 -04:00
200b4f13c7
use dynamic cast instead of c-style cast when casting from base type to derived class
2022-04-10 18:18:06 -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
5a12baeef9
remove dead code and silence compiler warnings
2021-04-23 15:14:01 -04:00
1c80c9455b
whitespace fixes
2021-04-21 14:58:57 -04:00
6cad2ba829
reverting changes in fix precession/spin
2021-04-21 10:55:43 -06:00
b1dd616a2f
correcting a small typo in the checks, and adding a note in the
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documentation of fix precession/spin about the error if a (0,0,0) vector
is given as an input.
2021-04-21 07:43:00 -06:00
0e38bfb58b
adding "division by zero" checks in fix precession/spin
2021-04-21 07:25:12 -06:00
a64378ba5b
cleaning-up fix nve/spin and precession/spin
2021-04-19 17:29:47 -06:00
455bb933c8
adding modifications for more than one fix langevin/spin in fix nve/spin
2021-04-12 16:18:22 -06:00
bb52cf9377
adding mask check for fix prec/spin
2021-04-12 15:01:29 -06:00
183b30abd7
use strmatch() consistently to detect respa and verlet runstyles with optional suffix
2021-03-30 18:30:22 -04:00
b5525a19bc
changes to files with THERMO_ENERGY mask in standard packages
2021-01-21 13:56:50 -07:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
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
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
da36b252cc
remove even more trailing whitespace
2020-04-14 06:08:10 -04:00
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
280d0defec
whitespace cleanup
2019-11-19 15:35:31 -05:00
39ca4c85b7
Merge branch 'clean-master2' of github.com:julient31/lammps into zeeman-rework
2019-11-15 11:25:52 -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
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
74e502eb63
Commit2 JT 110419
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- removed all tabs from spin package
2019-11-04 09:59:37 -07:00
b6b022b610
whitespace cleanup: remove trailing blanks
2019-11-03 11:03:39 -05:00
9e7ca428aa
whitespace cleanup: remove (evil) tabs
2019-11-03 11:01:42 -05:00
4743c0004f
Commit JT 102819
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- corrected issue in Zeeman precession
- improved documentation of Zeeman interaction
2019-10-28 15:34:52 -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
11f223416c
Commit JT 051319
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- 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
7b3f952990
whitespace cleanup and dead code removal
2019-03-25 20:50:39 -04:00
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
86810c2d7c
Commit2 JT 031919
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- correct error in fix_precession_spin
- only the sign of the force needed a correction
2019-03-19 22:44:26 -06:00
a508f1de6c
Commit JT 031919
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- correct. error in fix_prec_spin
- added min_post_force in fix_prec_spin
2019-03-19 22:30:44 -06:00
92a4dc25b1
Fix unused params in packages ( #1076 )
2018-08-24 10:42:08 -06:00
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
3549345830
whitespace cleanup
2018-06-27 12:30:19 -04:00
244963aa19
fix incorrect scaling of emag bug
2018-06-27 12:29:34 -04:00
da5931d65d
whitespace cleanup
2018-06-18 17:55:12 -04:00
6457e5eedb
Commit1 JT 052918 modifs files
2018-05-29 14:51:21 -06:00
437e854741
Commit JT 051118 before CEA
2018-05-11 15:24:26 -06:00
