1b58a4695b
add explanations for "before/after simulation box is defined" errors
2025-03-21 20:30:47 -04:00
620af2599b
use std::stoX() functions
2024-07-30 03:57:23 -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
34714dba29
improve error messages
2022-09-11 22:10:50 -04:00
69d9c5187e
refactor group access, enable and apply clang-format
2022-04-15 15:29:43 -04:00
3eec2eec9a
make buffer size a compile time constant and use strncpy() instead of strcpy()
2022-04-10 18:33:17 -04:00
39b316729b
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
92bfaeda10
fix bug where it was not possible to use an absolute path for write_coeff
2022-03-16 09:00:56 -04:00
85433e8bd1
use true/false instead of 1/0 detected and changed by clang-tidy
2021-10-20 12:41:02 -04:00
528050aa08
use platform namespace to delete file
2021-10-05 17:57:38 -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
e9e0bb71b6
Use varargs version of Error:all() and Error::one() where applicable
2021-04-25 21:30:51 -04:00
fab571cf6b
IWYU reported header updates
2021-04-13 00:47:49 -04:00
3d67d1eee9
simplify
2021-03-16 00:50:29 -04:00
51a20175c9
more code formatting consistency changes for loops and conditionals
2020-12-30 09:47:45 -05:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
4c51a8ae57
move version and num_ver from Universe to LAMMPS and make num_ver an int
2020-09-19 11:37:08 -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
9925122cea
more IWYU updates
2020-09-03 00:22:09 -04:00
54a8b4e08b
more local buffers removed and file error status added.
2020-06-04 20:14:19 -04:00
4eca3c46a6
fix bug that messes up r-RESPA from some strange reason.
2020-05-21 01:13:48 -04:00
2c0eeeb976
one more chunk of files in src folder to be cleaned up
2019-07-05 14:43:20 -04:00
256531a29a
put implementation header first for all remaining main folder source files
2019-07-03 19:34:13 -04:00
a8aeba78f3
change write_coeff to use utils:sfgets()
2019-02-02 10:20:49 -05:00
1ddbd24a4e
add missing include file
2018-11-26 15:45:23 -05:00
b1b6980d32
write_coeff needs to do special processing for class2 angles, dihedrals, and impropers
2018-11-21 15:46:41 -05:00
4d52cb9245
more buffer overflow avoiding through using snprintf()
2018-09-06 09:57:43 -04:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
31f2ca1e4c
Use multiple inheritance to remove accelerator_kokkos.h out of pair.h
2017-12-01 09:51:40 -07:00
c95ec24d1a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15387 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-07-28 13:51:40 +00:00
e405f015f9
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14877 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-04-26 18:33:10 +00:00
