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
3bc91386a0
apply include statement updates suggested by running IWYU
2022-02-13 19:39:15 -05:00
11a4920b30
refactor PERI package pair styles to use new accessors and to increase code sharing
2021-10-18 06:47:01 -04:00
bca99f684f
update list and order of include files from include-what-you-use analysis
2021-09-18 14:16:48 -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
95e2214d96
more typecasts to double to avoid 32-bit int overflows when computing memory usage
2021-02-04 14:35:38 -05:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
0f6a34775c
Merge branch 'master' into symbolic-atom-constants
2020-09-15 17:44:31 -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
9d0c3bc665
replace some numeric constants in Atom and AtomVec classes with enumerators
2020-09-11 19:07:55 -04:00
88ddfa4eb0
more IWYU cleanup in packages
2020-09-03 05:20:02 -04:00
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
3a0ae83c96
apply simplifications to standard packages
2020-06-29 00:06:28 -04:00
22288e06b7
Merge branch 'master' into fix-compiler-warnings
2019-10-25 14:07:50 -04:00
73892711a5
mass replace calls to fread() with utils::sfread()
2019-10-19 09:25:49 -04:00
dcb1b6500b
allow regexp matches for Modify::find_fix_by_style() and consolidate usage of searching for fixes
2019-10-18 06:59:27 -04:00
57a5588549
cleaning up include file handling in packages MOLECULE and PERI
2019-07-07 15:46:34 -04:00
416911aa7e
more rearranging of include file order to put implementation headers first
2019-07-03 21:57:39 -04:00
06a57dd659
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
92a4dc25b1
Fix unused params in packages ( #1076 )
2018-08-24 10:42:08 -06:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
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
4a975dd8cf
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12957 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-01-19 23:49:20 +00:00
bad19033d0
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11250 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-01-17 18:43:09 +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
db8eda0253
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9913 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-05-24 18:55:24 +00:00
48b22abf0b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8538 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-08-06 22:23:35 +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
15203cb792
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7039 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-10-06 17:55:48 +00:00
19e8c92a90
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7003 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-09-23 18:06:55 +00:00
aedbb28b6c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6486 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-06-30 20:10:18 +00:00
147842df01
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6327 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-06-07 18:06:14 +00:00
8ff0659bae
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5947 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-04-15 22:25:19 +00:00
eb7d288360
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5896 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-04-05 19:10:43 +00:00
1f2a7add78
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5836 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-03-26 00:50:29 +00:00
fbb475b9cd
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5835 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-03-25 21:13:51 +00:00
159d131e37
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5797 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-03-18 15:09:03 +00:00
49f5603f7f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5708 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-02-22 22:16:07 +00:00
26f888dd14
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4465 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-08-07 22:41:39 +00:00
124af06d28
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3658 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-01-12 16:32:06 +00:00
eb63ce2377
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3023 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-08-08 20:06:53 +00:00
86b3f60494
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2711 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-04-01 22:23:28 +00:00
94ddc19477
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2589 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-02-12 21:36:52 +00:00
8ae32d6ae4
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2359 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-01-09 14:45:28 +00:00
5fabfc6357
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2027 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2008-08-04 19:12:50 +00:00
