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
ec7d3410f3
add or correct some more LAMMPS header comments
2021-04-22 22:26:27 -04:00
e0087472e8
Fix issues with 'modify' in unpack_border
2021-01-11 10:29:03 -07:00
382ade15fe
more consistent formatting of for/while loops and if statements
2020-12-30 09:09:08 -05:00
a02471967b
Tweak DELTA constant
2020-12-22 16:08:21 -07:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
618b08dcfc
Merge branch 'master' into symbolic-atom-constants
2020-09-15 14:58:13 -04:00
0183e999c9
consistently return "memory_usage" as double.
2020-09-15 01:59:58 -04:00
9d0c3bc665
replace some numeric constants in Atom and AtomVec classes with enumerators
2020-09-11 19:07:55 -04:00
f67bd8eb5d
more KOKKOS, USER-OMP, and USER-INTEL include file cleanup
2020-09-03 10:54:06 -04:00
6113169a47
IWYU based include statement cleanup
2020-09-02 17:39:34 -04:00
ecd3652f61
update to current master
2020-04-30 11:57:17 -06:00
4eebcdfc0d
Fix runtime issue in Kokkos
2020-03-25 13:55:51 -06:00
44178a335e
Propagate rename to Kokkos styles
2020-01-29 13:56:34 -07:00
93748a18ae
further clean up of AtomVec classes after merging PR #1552 to master
2019-07-10 00:22:03 -04:00
06dcc9e283
Merge branch 'master' into improve-include-consistency
...
# Conflicts:
# src/USER-MESO/atom_vec_tdpd.cpp
2019-07-09 14:50:00 -04:00
cfaa537296
use alternate implementation of numeric conversion functions
...
these new functions allow to choose between aborting with Error::one()
and exiting with Error::all(). in the long run those should replace
all of the functions in Force.
2019-07-08 17:51:37 -04:00
b469ff6791
need to include 'force.h' header for conversion functions
2019-07-07 16:06:30 -04:00
15e1b39531
validate more numbers read from data files through using force->numeric()/force->inumeric() instead of atof()/atoi()
2019-07-07 15:52:21 -04:00
5b3a15bd94
putting implementation header first in package folder sources
2019-07-03 19:58:25 -04:00
a0bc619550
Need to call atomKK version of sync/modified in Kokkos atom_vec styles
2019-05-21 09:21:55 -06:00
618547b72e
Reduce DELTA and revert subview change
2019-04-09 14:40:39 -06:00
a01bce46bb
Reduce GPU/CPU data transfer
2019-04-09 10:23:37 -06:00
8c4baac3f1
Only copy force on ghost atoms if newton on
2019-03-15 14:25:24 -06:00
71a6227240
Optimize KOKKOS package for small system sizes
2019-03-14 15:43:50 -06:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
a6d10ba91d
Remove deprecated Kokkos code
2018-03-22 11:19:17 -06:00
15a3364c2c
Make memory_kokkos its own class
2017-12-01 09:13:31 -07:00
ca032f21fb
Add Kokkos threaded reverse comm option
2017-10-03 10:14:24 -06:00
d95a5f219e
Remove all thread fences except one in verlet_kokkos
2017-08-31 10:38:36 -06:00
d73d70fa1f
Adding ubuf union to Kokkos atom_vec styles
2017-04-26 08:15:42 -06:00
7ee45ec5f3
Fixing tagint and imageint issues in Kokkos package
2017-02-01 11:52:27 -07:00
4f195254af
Fixing bug with Kokkos and reading restart files
2016-12-28 10:59:30 -07:00
042f50ac9c
Christian's kokkos patch that allows concurrent host and device threading
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14752 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-03-18 14:50:28 +00:00
eb105410ad
Fixing Kokkos bug
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14467 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-21 20:15:34 +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
42ef87755e
Fixing Kokkos bug with restarts
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13565 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-07-09 22:44:52 +00:00
31509b7528
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12409 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-09-05 15:06:29 +00:00
d9f92faf40
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12365 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-08-27 16:17:57 +00:00
3b1a73c3bd
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12151 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-06-27 17:39:48 +00:00
3545d44d0d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12040 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-29 22:51:58 +00:00
