92c118b29f
replace for (;;) with while (true)
2023-06-25 05:56:51 -04:00
27da716852
getting out of the insurance business :-)
2023-01-23 16:45:41 -05:00
819ab9f2ff
portability improvements for Solaris/OpenIndiana
2023-01-19 17:36:02 -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
8e6b0425f7
apply clang-format
2022-05-14 18:01:34 -04:00
90797d53d9
one more batch of clang-tidy fixes
2022-05-13 23:21:14 -04:00
9c16819305
update code with clang-tidy fixes
2022-05-13 18:26:38 -04:00
051c243cfc
small programming style upgrade, apply clang-format, silence compiler warnings
2022-05-06 16:44:13 -04:00
6432660bc9
Merge branch 'develop' of https://github.com/lammps/lammps into coo_opt
2022-05-06 13:24:14 -06:00
69d9c5187e
refactor group access, enable and apply clang-format
2022-04-15 15:29:43 -04:00
54e667e491
convert more styles to use new neighbor list request API, apply clang-format
2022-03-05 21:44:45 -05:00
f05807f38e
Revert 647380a
2021-11-01 14:34:50 -06:00
ae3e6e423a
Fix loop level
2021-10-27 13:51:41 -06:00
2ca7dcb853
Use lighter construct than powint
2021-10-27 13:41:29 -06:00
2d52821cf5
Update from develop
2021-10-27 13:14:29 -06:00
647380a357
Avoid bitshift that gave incorrect results on GPU
2021-10-20 13:21:07 -06:00
5140d26748
plug memory leaks
2021-10-15 16:59:53 -04:00
01d96fc684
Whitespace
2021-10-15 12:50:46 -06:00
d97e55d54a
Precompute some sqrt factors
2021-10-15 11:53:54 -06:00
17316f92c7
Add optimized version of compute_orientorder_atom from Tomas Oppelstrup (LLNL)
2021-10-12 07:50:05 -07:00
41a3eccd1c
apply utils::logical() to more commands
2021-09-21 07:48:50 -04:00
ec069595f7
move compute orientorder/atom because compute coord/atom depends on it
2021-07-27 11:16:40 -04:00
852f18525d
complete moving packages and styles around
2021-07-23 18:11:25 -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
917cd1b924
silence more compiler warnings
2021-04-23 16:57:39 -04:00
77402bdbc8
avoid overflows when computing memory offsets and allocating memory
2021-02-06 18:14:27 -05:00
95e2214d96
more typecasts to double to avoid 32-bit int overflows when computing memory usage
2021-02-04 14:35:38 -05:00
e2e6639013
add typecast to avoid (unlikely but possible) integer overflows.
...
this will silence a lot of static code analysis warnings
2021-02-02 17:27:04 -05:00
51a20175c9
more code formatting consistency changes for loops and conditionals
2020-12-30 09:47:45 -05:00
382ade15fe
more consistent formatting of for/while loops and if statements
2020-12-30 09:09:08 -05:00
72f68f3d56
consolidate multiple factorial() function definitions into MathSpecial::factorial()
2020-12-17 12:47:04 -05:00
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
45f80f4f06
more include file updates found by iwyu
2020-09-02 22:52:22 -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()
...
this also removes the now obsolete functions from Force
2020-08-29 20:31:02 -04:00
11e3adc91b
make sure per-atom data is initialized to zero
2020-07-22 22:51:16 -04:00
3c78ad0a70
make more use of std::string and fmtlib where beneficial
2020-06-25 21:13:14 -04:00
b218fc44da
Merge branch 'master' of https://github.com/lammps/lammps into orientorder-components-parity
2020-06-19 14:32:00 -06:00
c7874fca86
Switched the sign of spherical harmonics for m odd
2020-06-19 12:18:11 -06:00
9c081cf439
Update from master
2020-04-24 12:18:53 -06:00
649a8cc01a
Fix typo
2020-03-14 13:57:48 +09:00
72a9ce0f32
Add loop chunking option to compute_orientorder_atom_kokkos
2020-03-04 12:31:37 -07:00
674781fe0e
Add Kokkos version of compute orientorder/atom
2020-02-24 13:27:40 -07:00
b6b022b610
whitespace cleanup: remove trailing blanks
2019-11-03 11:03:39 -05:00
3ec9317d03
Modified documentation
2019-08-26 14:28:09 -06:00
f8e3ea2839
Added Wlhat
2019-08-25 12:06:25 -06:00
8e1b3116a7
Added Clebsch-Gordan coefficients
2019-08-23 22:29:41 -06:00
