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
fcd0b9f78f
move Force::bounds() and Force::boundsbig() to utils.
2020-08-29 18:23:03 -04:00
ad38b5d306
whitespace fixes
2020-06-30 16:32:41 -04:00
edfb4076ff
remove dead code and unused variables
2020-06-30 16:32:30 -04:00
3cd1341e64
make more use of convenience functions for adding fixes and computes
2020-06-28 18:57:22 -04:00
47ebd8a3d9
implement mass keyword to turn off/on change in rmass when diameter is changed
2020-06-23 12:48:57 -05:00
b923037644
change and restore mass using scaling for floating point accuracy
2020-06-23 11:41:33 -05:00
4a2ab6d2f3
mods to fix adapt and doc pages for restarting
2020-06-19 12:48:06 -06:00
a6d2ae2ee0
implement restart_reset flag for fixes in restart_global list
2020-05-27 12:44:05 -05:00
6d11515ad0
scale factors in constructor only. Issue with successive fresh runs
2020-05-22 14:35:32 -05:00
1add74b8f7
save diameter and charge scale for restart. Need a switch te default values to 1 during init
2020-05-22 14:04:51 -05:00
03419b398a
scale diameter and charge incrementally without using fix store. Corrects bug of fix store array accessed out of bounds
2020-05-19 18:28:18 -05:00
e1362e9a61
Correct ghost atom access out of bounds bug in fix adapt
2020-05-19 16:55:25 -05:00
e114d814f4
add rmass_flag and rectify comments and indents
2020-04-10 16:17:12 -05:00
14bade977e
implement diameter/disc option for 2d simulations
2020-03-13 10:59:11 -05:00
437055f913
implement the scale keyword of fix adapt for diameter and charge
2020-03-12 11:11:38 -05:00
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
61e9dc4c8d
more accurate checking for styles using utils::strmatch() instead of strcmp() or strncmp()
2019-06-07 07:14:57 -04:00
e9bc939098
Fix more unused parameter warnings ( #1076 )
2018-08-23 12:22:44 -06:00
3ba87e52e9
fix/adapt wildcard bondtypes
2018-05-25 21:18:11 -06:00
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
ee862d8bf5
replace leading tabs
2018-03-16 12:34:33 -04:00
4da8c1c4e2
patch 11Apr17
2017-04-11 09:00:37 -06:00
874944f2ec
Made fix adapt support bond harmonic.
2017-04-04 19:37:17 -04:00
28e86917a0
Made fix adapt work with bond_harmonic.
2017-04-04 12:35:26 -04:00
35753b8f08
add error location propagation to force->bounds() and force->boundsbig()
2016-10-26 15:53:02 -04:00
f718c54430
sync with GH
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15634 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-09-23 21:04:56 +00:00
26b9b955a9
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15611 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-09-20 18:04:18 +00:00
958e3e6a80
sync with Git
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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
ea62766575
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14686 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-02-26 15:55:30 +00:00
e4ea9c0658
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14655 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-02-17 15:56:48 +00:00
4e199dd5bd
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14424 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-12 00:12:15 +00:00
0939eb1ee9
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14372 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-15 22:30:45 +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
e512ca27a7
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14158 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-21 23:14:00 +00:00
3841dd58ca
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13931 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-08-21 22:55:12 +00:00
86daf16069
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12996 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-01-28 15:55:56 +00:00
2b939d80f1
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12961 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-01-20 15:01:45 +00:00
1eb5be1591
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12950 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-01-19 22:14:11 +00:00
c377d599d0
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12947 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-01-19 19:02:46 +00:00
dd36721943
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12943 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-01-15 22:11:46 +00:00
a9906d1023
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12631 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-10-10 14:46:01 +00:00
e4abe8ee03
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12222 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-07-29 20:51:46 +00:00
0d2f6d9db4
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12030 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-27 14:35:49 +00:00
425fad8f71
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11952 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-09 15:27:08 +00:00
