33939a0e26
Merge branch 'master' into thermo-energy
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# 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
c091515427
changed syntax for virial tallying in standard package fixes
2021-01-21 15:12:16 -07:00
b5525a19bc
changes to files with THERMO_ENERGY mask in standard packages
2021-01-21 13:56:50 -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
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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()
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this also removes the now obsolete functions from Force
2020-08-29 20:31:02 -04:00
e5af9db84c
clean up includes in MC and MISC package
2019-07-07 11:49:13 -04:00
416911aa7e
more rearranging of include file order to put implementation headers first
2019-07-03 21:57:39 -04:00
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
e196a2b9e5
import changes to various fixes by aidan to include virial contributions
2017-09-11 22:24:06 -04:00
1ff75eaba2
Initialized pointers in MISC and MOLECULE
2016-11-07 17:15:48 +01:00
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
83796feb88
Fixing bug in fix efield
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14802 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-04-04 22:24:03 +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
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
9db54ceb98
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11889 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-02 15:57:10 +00:00
a1c6c99ccc
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11876 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-02 14:29:05 +00:00
c8fce1f525
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11874 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-01 21:10:56 +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
7d0088da79
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10840 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-10-01 13:56:05 +00:00
28a774a70b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10367 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-07-25 22:30:22 +00:00
