27da716852
getting out of the insurance business :-)
2023-01-23 16:45:41 -05:00
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
707d9f0ad2
use correct data type for MPI calls
2021-09-16 00:11:16 -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
1cb0b9dece
- modified all pairs (if on rcut)
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- clean KOKKOS from atom spin/kk (other PR)
2020-10-05 17:11:53 -06:00
121dc82f1b
Merge branch 'clean-master2' of https://github.com/julient31/lammps into exchange-biquadratic
2020-10-02 10:57:38 -06:00
d1321a0860
fix argument dimensions
2020-09-25 17:49:52 -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
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
e941670f2c
Commit modif biquad
2020-07-13 14:43:14 -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
8bca0b13f1
Commit2 JT 112219
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- correcting issue in src/SPIN/atom_vec_spin.cpp (inconsistency packing/unpacking hybrid)
- rerunning all examples with corrections of former commit
2019-11-22 16:29:37 -07:00
b6b022b610
whitespace cleanup: remove trailing blanks
2019-11-03 11:03:39 -05:00
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
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
883f6d1e8d
Commit1 JT 072619
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- corrected warnings in cg and lbfgs
- removed unused variables in spin/dipole pair styles
2019-07-26 09:06:43 -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
35be1724e3
Commit JT 052819
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- 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
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
0c0b106924
Commit2 JT 051519
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- 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
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
