482a6632e9
consolidate kspace communication enumerators in kspace.h
2024-10-10 05:35:01 -04:00
ad855ad7ea
remove unused constants
2024-02-05 20:26:23 -05:00
a6261d75b9
some more define to static constexpr conversions
2024-01-24 21:14:19 -05:00
1f863cd4a3
simplify since constexpr should conver to FFT_SCALAR at compile time
2024-01-21 15:59:09 -05:00
12422ff510
replace defines with static constexpr declarations
2024-01-21 15:53:35 -05:00
cc18528ea1
more bookkeeping changes
2022-11-30 10:56:54 -07:00
90b54300e9
remove whitespace
2022-11-07 16:18:40 -07:00
b4118c51cc
merged in current master
2022-11-04 08:22:18 -06:00
7346aee4ad
logic for all callers to use new Grid3d/Grid2d
2022-11-02 11:46:26 -06:00
4c29457351
more classes use Grid3d
2022-11-01 15:53:39 -06:00
5824534ac6
use symbolic constants Comm::BRICK / Comm::TILED for Comm::style
2022-10-27 07:03:25 -04:00
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
e2352bc65e
grid class name changes
2022-07-18 17:24:40 -06:00
39b316729b
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
71f8e11d70
join multi-line strings
2022-04-09 07:45:01 -04:00
d8f0cec031
updates/bug-fixes to parallel fix ttm/grid
2021-08-20 16:57:20 -06:00
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
e9e0bb71b6
Use varargs version of Error:all() and Error::one() where applicable
2021-04-25 21:30:51 -04:00
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
...
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
55704368d0
include updates for commonly used packages
2020-09-03 01:45:05 -04:00
729b3d2717
major whitespace cleanup
2020-08-19 18:46:35 -04:00
eae7312680
changes to more PPPM variants for tiled support
2020-08-12 14:25:28 -06:00
cfaa3be898
reduce screen output precision
2020-07-04 08:26:00 -04:00
7de4655e69
simplify output in KSPACE package
2020-06-29 08:17:27 -04:00
b29ffabe56
move two_charge_force calc to occur at init, not constructor
2020-01-21 14:24:55 -07:00
b6b022b610
whitespace cleanup: remove trailing blanks
2019-11-03 11:03:39 -05:00
fe5d62c82d
whitespace cleanup
2019-10-28 09:08:33 -04:00
31aa68db31
remove unused variables and reduce unused parameter warnings
2019-10-14 16:42:21 +02:00
61ed3b65b7
clean up includes in KSPACE package
2019-07-06 10:20:13 -04:00
5b3a15bd94
putting implementation header first in package folder sources
2019-07-03 19:58:25 -04:00
7a33d1e328
Code cleanup
2019-06-12 11:36:42 -06:00
ed7c09ac81
Add missing character
2019-05-21 10:30:33 -06:00
2fbc4f504d
Per-atom virial is not yet supported with pppm/dipole
2019-05-21 10:16:13 -06:00
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
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
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
a745a0aed0
Commit JT 100318
...
- 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
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
8d79db03d3
Commit1 JT 082118
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- created pppm_dipole_spin.h/cpp (child-class of pppm_dipole)
- improved pair_spin_long.h/cpp
- created documentation for pair_spin_long
- new 3xN fm_long vector in atom_vec_spin (with associated comm)
2018-08-21 13:47:38 -06:00
