fcea2cc5b5
zero out fix external local data when allocated to avoid uninitialized data access
2023-04-18 09:53:01 -04:00
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
7d92d665e8
use explicit scoping when virtual dispatch is not available.
2021-09-15 16:08:17 -04:00
aa885a9d8d
make virial processing use the total global virial
2021-07-21 17:06:21 -04:00
9615867600
make contribution to global virial compatible with pf/array mode
2021-07-21 00:25:32 -04:00
d462bb3131
fix off-by-one bug
2021-07-16 22:44:04 -04:00
8b1dedf04a
add extract method to fix external
2021-07-16 17:21:57 -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
2c1b6adce3
change virial_atom to virial_peratom
2021-01-21 12:00:16 -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
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
f88f4cd60e
more include file updates
2020-09-02 21:44:04 -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
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
17c81295c2
use ev_init for fixes
2019-03-13 17:50:10 +01:00
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
1ac90815f3
fix external only needs to collect virial in case it is requested
2017-09-17 23:59:34 -04:00
e196a2b9e5
import changes to various fixes by aidan to include virial contributions
2017-09-11 22:24:06 -04:00
ea4f16bd79
additional fix external hooks for calling programs
2017-07-05 10:01:19 -06:00
dcede304df
changes for next patch, 2d disc options for spheres, fix external upgrade, bug fixes for fix ave/chunk for density calcs, Aidan doc page citation deconvolution
2017-03-21 08:56:37 -06:00
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
d8b1c15247
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10479 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-07-30 00:07:18 +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
67503ebecc
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9707 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-03-22 22:16:40 +00:00
ce7dede594
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9399 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-02-08 16:44:04 +00:00
9b87f88124
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9227 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-01-04 17:58:46 +00:00
fa8c7b68fc
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9222 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-01-04 17:15:32 +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
e8308edb15
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8088 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-05-18 16:35:19 +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
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
cc9d61f406
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5274 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-11-22 15:58:44 +00:00
8d815363e2
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4808 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-09-16 19:34:48 +00:00
