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
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# 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
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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()
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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
f764b2bc10
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8758 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-09-10 14:24:09 +00:00
b60290258d
Bug fix to allow table keywords to be subsets of other table keywords. This is an issue pointed to by Andrew Jewett on Sept 6, 2012, and fixed with this change.
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8753 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-09-07 15:12:39 +00:00
ef9e700545
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-06-06 22:47:51 +00:00
