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
f05fcaf0d5
change energy tally during minimize
2022-06-17 05:44:43 -04:00
de4a9f268e
rename reverse communication calls
2022-02-21 21:18:28 -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
33939a0e26
Merge branch 'master' into thermo-energy
...
# Conflicts:
# doc/src/fix_ti_spring.rst
# src/RIGID/fix_rigid_small.cpp
# src/fix_langevin.cpp
# src/fix_temp_berendsen.cpp
# src/fix_temp_csld.cpp
# src/fix_temp_csvr.cpp
# src/fix_temp_rescale.cpp
# src/thermo.cpp
2021-02-08 15:24:29 -05:00
95e2214d96
more typecasts to double to avoid 32-bit int overflows when computing memory usage
2021-02-04 14:35:38 -05:00
f54fd8fa72
intial refactoring of THERMO_ENERGY mask
2021-01-21 10:31:53 -07:00
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
799b676f89
must skip corresponding per-atom data accumulation if compute_flag for pair or kspace is 0
2020-05-21 11:05:16 -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
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
9b2d5ff3e7
remove executable permissions on non-executables and non-scripts
2016-09-08 14:45:07 -04:00
fcd54f02e6
Fixed initialization of arrays in computes
2016-08-24 17:26:03 -04:00
6ec2346ca0
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15290 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-07-12 22:40:29 +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
f50d366df7
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12255 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-08-06 16:16:32 +00:00
23da8399c0
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10805 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-09-18 14:10:31 +00:00
548be3761f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10024 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-05 13:41:11 +00:00
7f18289ee3
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10010 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-04 14:55:56 +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
7a22c79244
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7782 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-02-14 20:14:03 +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
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
97cfbf8fb4
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3508 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-12-04 21:03:54 +00:00
69d350af34
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3481 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-12-03 17:45:22 +00:00
d32f0a53f2
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2676 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-03-18 17:37:46 +00:00
0cc1d090f4
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2330 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-01-05 22:26:08 +00:00
b2e9f7dc10
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1272 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2008-01-02 19:24:46 +00:00
8ca98a8d74
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1201 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2007-12-01 00:01:24 +00:00
