8d2fba9197
modernize fixes langevin, press/berendsen, temp/berendsen, temp/rescale
2022-08-17 06:57:38 -04:00
39b316729b
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -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
b32570c15e
simplify by using utils::strdup() and reorder includes
2021-03-28 22:22:13 -04:00
a5563e8d04
simplify using utils::strdup()
2021-03-18 20:56:04 -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
cf427bcad8
apply utils::strdup() in a few more cases
2021-02-04 17:52:32 -05:00
4e791ac4f7
replace 'strstr(xxx,"x_") == xxx' with utils::strmatch("^x_")
2021-02-04 15:20:43 -05:00
6e3b9307a4
remove ecouple variable from Fix
2021-01-21 11:56:33 -07:00
182eb35f1a
changes to fixes that use THERMO_ENERGY
2021-01-21 11:32:11 -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
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
548e108695
simplify
2020-08-09 14:55:11 -04:00
62a501ebda
store cumulative energy change in restart file
2020-08-09 01:27:14 -04:00
41d62b8b8b
update temp and press compute creation in temperature and similar fixes
2020-06-26 16:02:14 -04:00
a5651acb49
must not forget to generate compute ids and store them.
2020-06-26 15:42:37 -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
96744c4933
more include file cleanup
2019-06-30 15:53:17 -04:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
0034d2db35
apply the rigid body checks to some more example codes
2017-06-05 16:30:30 -04:00
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
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
4e247c3b8c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13951 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-08-28 23:36:43 +00:00
dbdde74aab
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12707 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-11-17 21:31:05 +00:00
b7ece0fb51
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12693 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-11-17 18:11:29 +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
a6eb6e4f84
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9261 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-01-11 16:50:56 +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
d1419c4c9c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8179 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-05-24 13:35:09 +00:00
aa8aeb0294
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8164 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-05-23 16:24:30 +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
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
9a0acc9585
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4770 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-09-10 17:28:15 +00:00
4790c5402e
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3419 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-11-17 21:18:23 +00:00
746690d402
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2958 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-07-02 18:01:55 +00:00
2d5a69385a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2902 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-06-26 18:23:16 +00:00
4b237db3de
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1653 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2008-03-20 15:32:33 +00:00
d4f14ea20b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1602 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2008-03-17 20:49:18 +00:00
6b882749fa
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1595 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2008-03-11 17:42:05 +00:00
