36b3ee32a4
simplify
2021-09-15 16:46:33 -04:00
c66a51bca1
fix bug in fix adapt: reinit must be called for the top-level pair/bond style
2021-08-31 14:23:13 -04:00
68c15ebf04
refactor/simplify code due to changes in Modify
2021-08-07 10:09:06 -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
fe063b27c7
silence compiler warnings
2021-04-23 15:51:16 -04:00
183b30abd7
use strmatch() consistently to detect respa and verlet runstyles with optional suffix
2021-03-30 18:30:22 -04:00
19811077b7
fix strdup() vs utils::strdup() bug
2021-02-05 17:16:38 -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
51a20175c9
more code formatting consistency changes for loops and conditionals
2020-12-30 09:47:45 -05:00
382ade15fe
more consistent formatting of for/while loops and if statements
2020-12-30 09:09:08 -05:00
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
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
...
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
...
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
