aab3e085a2
silence compiler warning on windows
2021-10-06 16:49:48 -04:00
7ddfa382dc
enable and process pair style table with clang-format
2021-08-24 22:27:11 -04:00
d79c42ac41
improve error messages for incorrect/inconsistent table data
2021-08-24 22:26:59 -04:00
b8236c6402
improve error messages by printing unrecognized property
2021-06-08 11:19:21 -04:00
09c19a936b
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
d8291eea7b
Merge branch 'master' into prepare-clang-format
...
# Conflicts:
# src/MOLECULE/bond_fene.h
# src/MOLECULE/bond_fene_expand.h
2021-05-11 21:49:48 -04:00
d1941392d3
disable clang-format for all existing .cpp files (for now)
2021-05-05 23:53:38 -04:00
22e93468d6
simplify code by appling varargs messages and warnings
2021-05-05 18:19:12 -04:00
e9e0bb71b6
Use varargs version of Error:all() and Error::one() where applicable
2021-04-25 21:30:51 -04:00
12f49c4c89
avoid overflow when computing memory address offsets on 64-bit machines
2021-02-05 19:42:07 -05:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
29a7d598ac
update formatting style to be more consistent
2020-09-21 02:04:58 -04:00
93a0d4c096
fix up some comments
2020-09-12 14:26:34 -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
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
fcd0b9f78f
move Force::bounds() and Force::boundsbig() to utils.
2020-08-29 18:23:03 -04:00
0025140902
flag which table - identified by keyword - has a warning
2020-08-10 11:09:10 -04:00
edfb4076ff
remove dead code and unused variables
2020-06-30 16:32:30 -04:00
9afbc71802
only check for consistent cutoff and return it when flagged as kspace compatible
2020-06-27 10:19:57 -04:00
e4a3a518f7
more use of fmtlib and std::string
2020-06-25 22:50:38 -04:00
6420ccafa2
fix bugs with not properly detecting/selecting unit conversions
2020-06-25 10:31:09 -04:00
2acf71c3e2
add unit conversion to table pair style
2020-06-25 04:31:34 -04:00
185eeaea8b
Add missing try-catch
2020-06-02 18:37:04 -04:00
95e12ccb73
Update PairTable
2020-06-02 16:11:36 -04:00
fe20490891
more use of utils::sfread()
2019-10-17 17:06:12 -04:00
ce6fa0118a
continuing to clean up include file lists
2019-07-04 08:39:17 -04:00
256531a29a
put implementation header first for all remaining main folder source files
2019-07-03 19:34:13 -04:00
b6b0d0b30e
minor whitespace cleanup commit to retrigger PR tests on github
2019-03-26 16:43:09 -04:00
06a57dd659
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
989496d26c
use utils::sfgets() where the return status of fgets() is not checked
2019-02-01 12:23:06 +01:00
4d52cb9245
more buffer overflow avoiding through using snprintf()
2018-09-06 09:57:43 -04:00
e9bc939098
Fix more unused parameter warnings ( #1076 )
2018-08-23 12:22:44 -06:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
59dbb49cf9
remove trailing whitespace
2018-03-16 12:37:27 -04:00
23033404b0
skip table consistency check for bitmapped tables
2017-07-17 18:18:21 -04:00
267f05e5ca
protect PairTable dtor with copymode
2017-01-05 15:38:45 -07:00
35753b8f08
add error location propagation to force->bounds() and force->boundsbig()
2016-10-26 15:53:02 -04:00
9954d5d346
forgot pair table change
2016-10-19 10:47:07 -06:00
9d3d6193f3
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15071 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-31 14:49:49 +00:00
13c5549009
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14809 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-04-07 21:12:44 +00:00
00fc71e8b8
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14659 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-02-22 17:10:07 +00:00
5c78508b40
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14656 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-02-18 22:31:49 +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
0de9e4252b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11701 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-04-04 16:40:17 +00:00
ef9af34f32
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11540 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-02-12 14:54:35 +00:00
e7946a6269
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10884 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-10-30 14:05:21 +00:00
3428df4c4b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10167 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-28 19:36:17 +00:00
2dbe3f80a2
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10103 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-27 20:02:55 +00:00
1eb48e25a6
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9795 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-04-23 22:53:30 +00:00
