1aa8b64283
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
a06c4767a0
Merge branch 'upstream' into gpu-newton-pair-on
2021-11-20 08:30:39 -06:00
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
8b36061db4
replace MPI_Wtime() with platform::walltime()
2021-10-05 22:53:39 -04:00
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
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
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
8c4918457f
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
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
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
24ff914e5a
silence compiler warnings about unused parameters in the GPU package
2019-02-13 07:42:24 -05:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
b34000a5e1
make *_gpu_reinit() functions consistent in returning void. correct prototypes in src/GPU, too.
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this supersedes and closes #719
2017-11-04 02:49:22 -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
8a9e1676eb
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12147 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-06-27 17:27:28 +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
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
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
2e686fb6ca
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7859 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-02-28 19:59:30 +00:00
8c63a6ef53
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7423 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-01-06 17:08:03 +00:00
24a85166bf
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7276 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-12-02 15:55:55 +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
e77ec4dea6
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6767 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-08-23 21:12:28 +00:00
aedbb28b6c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6486 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-06-30 20:10:18 +00:00
96fb599b2d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6055 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-05-02 15:03:20 +00:00
eb7d288360
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5896 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-04-05 19:10:43 +00:00
d51c47d9ab
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5705 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-02-22 22:09:18 +00:00
c837659cdb
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5541 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-01-12 15:27:55 +00:00
82ec94916d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5520 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-01-11 00:41:00 +00:00
4e52d8d927
Changes from Mike Brown.
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5278 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-11-23 00:41:14 +00:00
8eaf196813
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3803 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-02-11 20:38:22 +00:00
1b5977fdee
Updating src/GPU to version 2.
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3788 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-02-04 21:35:51 +00:00
4663686781
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3685 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-01-14 21:11:58 +00:00
124af06d28
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3658 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-01-12 16:32:06 +00:00
82c75c9bea
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3407 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-11-16 21:43:47 +00:00
bd0d78aeac
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3054 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-08-12 16:46:29 +00:00
93e0e00793
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3047 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-08-11 18:59:27 +00:00
27b1805916
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3042 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-08-10 20:28:57 +00:00
2c6dc60a30
Added GPU library and package directories.
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3036 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-08-10 20:03:47 +00:00
