d4ea5ca49e
more clang-tidy fixes after re-running it with added settings
2022-05-14 07:18:05 -04:00
d6f7570d57
avoid redundant use of boolean literals
2022-04-10 20:47:31 -04:00
39b316729b
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
1aa8b64283
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
4c0192cae1
rename forward communication functions for pair, fix, compute, and dump
2022-02-21 21:15:10 -05:00
766f975b74
Removed the newton checks in the gpu pair styles; reverted to mixed precision in Makefile.cuda
2021-11-13 07:00:12 -06:00
0904ffa813
Enabled newton pair on for gpu pair styles
2021-08-06 01:11:31 -05:00
76a472d8b8
Merge pull request #2640 from ndtrung81/eam-gpu
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Fixing bugs on eam*/gpu for pair hybrid with neigh yes, where the gpu…
2021-05-27 12:11:13 -04:00
09c19a936b
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
7dee0b0633
Merge branch 'gpu-updates' into eam-gpu
2021-05-24 00:24:04 -04:00
7a17780a82
consistently check for newton pair off and align error message rest of LAMMPS
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also add checks for required charge property for pair styles with coulomb
2021-05-22 13:17:58 -04:00
5dbf9f754e
Merge branch 'master' into eam-gpu
2021-05-18 14:19:39 -04:00
d1941392d3
disable clang-format for all existing .cpp files (for now)
2021-05-05 23:53:38 -04:00
4738337e47
update/trim list of include files according to the IWYU principle
2021-04-24 13:22:39 -04:00
7662cfe28d
Merge /home/ndtrung/Codes/lammps-git into eam-gpu
2021-03-29 13:33:31 -05:00
8c4918457f
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
d5c3e1786a
Fixing bugs on eam*/gpu for pair hybrid with neigh yes, where the gpu pair style eam is used for only a subset of the pair types. eam being the first substyle works correctly, but otherwise will give incorrect forces
2021-03-02 13:05:37 -06:00
e7e2d2323b
Feb2021 GPU Package Update - GPU Package Files
2021-02-15 08:20:50 -08:00
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
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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
229203bac0
Supported neighbor list builds for triclinic boxes on the GPU
2020-05-06 08:51:17 -05:00
dd60bddc33
reset embedding step counter when init_style() is called
2020-01-16 17:14:23 -05:00
f073a64549
add suffix_flag settings to GPU package styles
2020-01-10 15:29:53 -05:00
5b3a15bd94
putting implementation header first in package folder sources
2019-07-03 19:58:25 -04:00
06a57dd659
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
b417cfda9b
removed dead code and reduce compiler warnings about unused parameters
2019-02-03 11:36:41 -05:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
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
4a975dd8cf
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12957 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-01-19 23:49:20 +00:00
2cca373515
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12253 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-08-06 16:07:54 +00:00
7b5846a386
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12131 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-06-14 19:34:09 +00:00
f461504c93
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11829 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-04-18 15:25:28 +00:00
1fac1d41fa
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11789 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-04-15 15:24:27 +00:00
dc585528b2
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11334 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-01-25 23:52:50 +00:00
871f90c68d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8814 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-09-21 16:08:57 +00:00
47552d4033
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8498 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-07-25 15:16:20 +00:00
1624264bc8
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8426 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-06-29 14:07:22 +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
267bb1ba88
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7886 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-03-02 15:57:32 +00:00
6e48e4e6db
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7573 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-01-25 15:30:11 +00:00
