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
71970858cf
Updating error messages, small changes to doc
2022-09-03 16:44:21 -06:00
b05d96078a
Adding extra property vector to bonds
2022-06-06 10:10:43 -06:00
4c0192cae1
rename forward communication functions for pair, fix, compute, and dump
2022-02-21 21:15:10 -05:00
f135d8bb4e
Fix issue where direction correction in compute bond/local might not have been correct
2021-11-20 14:34:24 +01:00
36e4e3e746
Add ddx, dy and dz computes to compute bond/local and property/local
2021-11-18 17:22:32 +01:00
5a6c1abeed
dead code removal
2021-09-17 22:53:59 -04:00
7196a295a6
small tweaks from static code analysis
2021-09-15 19:50:52 -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
59c0325f08
simplify by using utils::strdup()
2021-03-18 20:22:08 -04:00
95e2214d96
more typecasts to double to avoid 32-bit int overflows when computing memory usage
2021-02-04 14:35:38 -05:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
0f6a34775c
Merge branch 'master' into symbolic-atom-constants
2020-09-15 17:44:31 -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
9d0c3bc665
replace some numeric constants in Atom and AtomVec classes with enumerators
2020-09-11 19:07:55 -04:00
b6b022b610
whitespace cleanup: remove trailing blanks
2019-11-03 11:03:39 -05:00
34f73fddfe
Added a missing break statement in fz component
2019-09-11 11:59:59 +01:00
b08b3b90da
Adjusted compute_bond_local to allow components of force to be obtained
2019-09-09 14:43:34 +01:00
7967cb1133
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
ff819be807
more 'war on tabs'
2019-03-29 10:21:44 -04:00
4ec05a3389
remove some more trailing whitespace
2018-12-01 08:14:02 -05:00
688945a0ef
silence compiler warnings about initialization order and unused args
2018-10-31 00:34:58 -04:00
bcecc0389e
add variable option to compute bond/angle/dihedral local
2018-09-04 14:48:44 -06:00
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
59dbb49cf9
remove trailing whitespace
2018-03-16 12:37:27 -04:00
ae5764beac
added functionity to lib interface
2016-12-13 16:22:17 -07:00
beb5a30f67
new compute global/atom command, also bug fix for descending dump sorts
2016-11-30 14:01:27 -07:00
2634468676
dead code removal
2016-10-19 10:42:02 -04:00
babaa839b0
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15570 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-09-13 22:55:40 +00:00
a8d7ca367d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15564 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-09-10 20:19:52 +00:00
083ff54c0c
small bug fixes
...
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15527 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-08-31 20:26:15 +00:00
2993aec312
sync with Git
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15519 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-08-29 22:52:03 +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
8a10c55a3b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14139 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-21 19:39:28 +00:00
405a2fd487
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12309 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-08-14 13:10:39 +00:00
5e1d34a23d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11617 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-03-10 15:56:49 +00:00
0ce16af78b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11328 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-01-25 22:46:08 +00:00
bad19033d0
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11250 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-01-17 18:43:09 +00:00
a62be73ba7
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9413 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-02-08 18:09:25 +00:00
744e2093fd
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9411 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-02-08 17:38:26 +00:00
7000d43d10
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8348 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-06-20 13:46:30 +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
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
1f2a7add78
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5836 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-03-26 00:50:29 +00:00
fbb475b9cd
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5835 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-03-25 21:13:51 +00:00
bc155995d7
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3581 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-12-18 21:02:30 +00:00
e13c488f96
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3573 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-12-18 16:57:20 +00:00
