9fef3b68e0
update deallocate, suffix flags
2024-06-27 22:36:15 -06:00
03bbc562ad
improve error messages for invalid hybrid sub-styles
2024-03-18 10:46:43 -04:00
a6261d75b9
some more define to static constexpr conversions
2024-01-24 21:14:19 -05:00
a3c0be875e
include-what-you-use updates
2022-12-11 22:46:54 -05:00
c11eabddc0
error out when a bond/angle/dihedral/improper substyle is not used
...
this implements the same behavior as for pair style hybrid
2022-11-30 08:09:51 -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
bf98df3264
silence compiler warnings
2022-05-16 23:20:04 -04:00
8e6b0425f7
apply clang-format
2022-05-14 18:01:34 -04:00
a79814793e
improve handling of hybrid styles and their arguments and errors
2022-05-14 17:56:44 -04:00
49dca516ea
simplify API of Force::store_style()
2022-01-20 16:48:44 -05:00
848db31a77
reformat with clang-format
2021-08-02 15:25:01 -04:00
8aa39a6c40
make compatible with CLASS2
2021-08-02 15:23:16 -04:00
45858be1b6
avoid uninitialized data access for hybrid styles with OPENMP
2021-08-02 15:22:21 -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
fe063b27c7
silence compiler warnings
2021-04-23 15:51:16 -04:00
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
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
6113169a47
IWYU based include statement cleanup
2020-09-02 17:39:34 -04:00
fcd0b9f78f
move Force::bounds() and Force::boundsbig() to utils.
2020-08-29 18:23:03 -04:00
e47090d931
add suport for centroid virial to hybrid angle/dihedral/improper styles
2019-10-11 18:10:06 +09:00
cad6293078
use new utils::sfread() utility function in several classes
2019-10-17 11:29:08 -04:00
9477df4244
Merge branch 'master' into improve-include-consistency
2019-07-26 17:24:32 -04:00
f86d2c9934
read/write settings in restart files for bonded hybrid styles
...
this allows to properly restart table styles, which require
additional settings unlike all other bonded styles.
2019-07-25 07:55:39 -04:00
256531a29a
put implementation header first for all remaining main folder source files
2019-07-03 19:34:13 -04:00
96744c4933
more include file cleanup
2019-06-30 15:53:17 -04:00
c7af948dfc
use ev_init for impropers
2019-03-13 17:50:50 +01:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
f8506fee23
sync GHub with SVN
2017-01-26 14:06:43 -07:00
35753b8f08
add error location propagation to force->bounds() and force->boundsbig()
2016-10-26 15:53:02 -04:00
d55f968432
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-17 23:48:15 +00:00
3c11e66b5a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15086 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-31 16:41:25 +00:00
354e20f431
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
18a1c57b56
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12315 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-08-14 19:25:12 +00:00
0f6eb0877e
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12310 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-08-14 16:30:03 +00:00
45ea5f9795
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9722 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-04-01 16:00:16 +00:00
1a55f94e8a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@64 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2006-10-03 17:52:58 +00:00
222c95507e
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@26 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2006-09-27 19:51:33 +00:00
