848db31a77
reformat with clang-format
2021-08-02 15:25:01 -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
8541b0da3e
reduce compiler warnings by avoiding to redeclare variables so they shadow others
2021-04-23 15:35:45 -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
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
5a2704efc2
ensure that local per-thread storage is completely cleared in hybrid styles.
2020-06-24 17:24:47 -04:00
3e39b8c62d
make sure class pointers are initialized to NULL and virial accumulator.
2020-06-24 17:23:20 -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
7967cb1133
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
932f052cbf
more header cleanup
2019-06-27 20:52:23 -04:00
48220b39b5
include <cstdio> explicitly in .cpp files, though
2019-06-27 11:48:34 -04:00
84e156d380
first batch of changes suggested by using include-what-you-use tool
2019-06-27 09:14:36 -04:00
6e6f903818
use ev_init for angles
2019-03-13 17:51:41 +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
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
fe1ade5fad
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12231 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-07-30 14:59:20 +00:00
b6df7c873b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9764 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-04-08 23:38:00 +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
