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
55f8bf9c51
adapt some more styles to use the new neighbor list request API
2022-03-08 15:27:37 -05:00
a0996da644
apply new APIs to a few representative cases
2022-03-02 21:31:35 -05:00
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
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
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
7967cb1133
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
378474c4e6
more include file cleanup suggested by IWYU
2019-06-28 02:07:18 -04:00
4ec05a3389
remove some more trailing whitespace
2018-12-01 08:14:02 -05:00
3a735d15d4
Added compute_rdf.cpp
2018-10-19 18:43:04 -06:00
e9bc939098
Fix more unused parameter warnings ( #1076 )
2018-08-23 12:22:44 -06:00
f5b7419108
fix typo reported in #915
2018-05-21 16:49:00 -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
71ddcaf0b6
whitespace cleanup
2017-07-07 15:50:19 -04:00
fe888e4622
add support for recomputing normalization factors and finite size correction during
2017-07-07 15:39:25 -04:00
1cd4c48ccc
new SNAP potential for W
2017-02-21 15:49:21 -07:00
9a299875da
simplified neighbor list copying to avoid possible same-timestep re-build issues
2017-01-19 17:01:15 -07:00
470908fc93
explicitly disallow dynamic groups with compute rdf
2016-11-24 05:46:15 -05:00
35753b8f08
add error location propagation to force->bounds() and force->boundsbig()
2016-10-26 15:53:02 -04:00
2993aec312
sync with Git
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15519 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-08-29 22:52:03 +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
9a878cdd67
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14128 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-21 18:29:37 +00:00
a6d7932ef4
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14082 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-09-28 12:37:59 +00:00
a3017bc092
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13992 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-09-03 00:14:01 +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
72ac6ea854
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12956 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-01-19 23:43:48 +00:00
2516600403
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12579 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-09-30 23:20:03 +00:00
aa33af4032
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10160 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-28 19:00:58 +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
f90ce18f3d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7133 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-10-20 00:11:49 +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
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
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
50b8413fe7
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5833 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-03-25 19:40:12 +00:00
cf03a9bc95
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3557 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-12-17 00:16:43 +00:00
27ac1024bd
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3552 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-12-16 23:01:17 +00:00
823cbd55b3
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3551 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-12-16 20:27:17 +00:00
