5a52369fff
Reading mask too
2023-05-03 10:41:43 -06:00
b560559b0a
Fix issues with Kokkos minimize
2023-05-03 10:37:41 -06:00
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
0b047ba22b
improved error messages in fix_addforce,fix_indent,fix_setforce,fix_temp_rescale,fix_wall_reflect and thermo.cpp
2022-08-16 20:33:22 +08:00
69d9c5187e
refactor group access, enable and apply clang-format
2022-04-15 15:29:43 -04:00
200b4f13c7
use dynamic cast instead of c-style cast when casting from base type to derived class
2022-04-10 18:18:06 -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
40f1a74a7f
use more precise detection of verlet and respa run styles
2021-03-30 07:37:39 -04:00
fd67f83bb7
replace atoi() with utils::inumeric()
2021-02-19 10:27:31 -05:00
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
24bf1e5b0c
make use of utils::strdup()
2021-02-04 17:33:02 -05:00
4e791ac4f7
replace 'strstr(xxx,"x_") == xxx' with utils::strmatch("^x_")
2021-02-04 15:20:43 -05:00
2c1b6adce3
change virial_atom to virial_peratom
2021-01-21 12:00:16 -07:00
182eb35f1a
changes to fixes that use THERMO_ENERGY
2021-01-21 11:32:11 -07:00
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
f88f4cd60e
more include file updates
2020-09-02 21:44:04 -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
7967cb1133
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
31cbccda85
continue cleaning up include file lists
2019-06-29 09:37:44 -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
58ed92d905
one more file that doesn't require to include accelerator_kokkos.h
2017-12-01 16:45:22 -05:00
2cd7cbd964
correct cut-n-paste error, add docs
2017-09-15 00:54:19 -04:00
8776b81033
add virial support to fix addforce
2017-09-15 00:46:18 -04:00
78a22be93f
sync Make.py and fix addforce change with GHub
...
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15675 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-09-28 22:36:54 +00:00
958e3e6a80
sync with Git
...
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15520 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-08-29 23:49:20 +00:00
d55f968432
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-17 23:48:15 +00:00
876b033ea8
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15083 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-31 16:33:07 +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
08157510b7
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14197 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-23 17:00:52 +00:00
ed06a4859e
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12413 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-09-05 15:31:41 +00:00
4a95e69111
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12410 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-09-05 15:27:05 +00:00
f6c0d4fec3
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12405 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-09-05 14:39:17 +00:00
4c9bba90f1
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11937 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-07 16:15:31 +00:00
48b8860e43
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11888 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-02 15:56:16 +00:00
af5d91115f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11875 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-02 14:28:56 +00:00
4f43e3f854
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11869 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-01 17:44:24 +00:00
a1ef01fc1a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11243 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-01-14 16:17:20 +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
6f4bba7edf
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9006 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-25 16:24:37 +00:00
66c5617afb
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8395 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-06-25 22:03:31 +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
0cbe6c3197
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8118 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-05-22 13:55:56 +00:00
f884a7ec85
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7647 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-02-01 16:27:41 +00:00
6d849fea0e
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7061 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-10-10 16:26:58 +00:00
