cafa9ccec2
backport of 32-bit integer overflow fixes for large molecular systems from develop
2024-01-15 11:16:12 -05:00
27da716852
getting out of the insurance business :-)
2023-01-23 16:45:41 -05:00
cc18528ea1
more bookkeeping changes
2022-11-30 10:56:54 -07:00
b4118c51cc
merged in current master
2022-11-04 08:22:18 -06:00
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
e2f2663df2
more changes from GridComm to Grid3d in packages
2022-08-17 10:08:34 -06:00
39b316729b
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
8b36061db4
replace MPI_Wtime() with platform::walltime()
2021-10-05 22:53:39 -04:00
f80df9ae41
a few more (final?) IWYU updates
2021-09-19 09:41:23 -04:00
12406b90a1
more iwyu header updates
2021-09-18 21:24:01 -04:00
c513fc8784
update pppm/gpu to use the refactored GridComm class
2021-08-27 19:52:39 -04:00
6f46ac57b9
plug small memory leak in pppm/gpu
2021-08-16 13:50:43 -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
183b30abd7
use strmatch() consistently to detect respa and verlet runstyles with optional suffix
2021-03-30 18:30:22 -04:00
e7e2d2323b
Feb2021 GPU Package Update - GPU Package Files
2021-02-15 08:20:50 -08:00
9d7319dd2b
whitespace fixes
2020-11-25 16:51:41 -05:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
93a0d4c096
fix up some comments
2020-09-12 14:26:34 -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
8f156bfee6
Fix typo in pppm_gpu.cpp
2020-08-19 14:25:06 -06:00
eae7312680
changes to more PPPM variants for tiled support
2020-08-12 14:25:28 -06:00
bd87b112b5
Allowed pppm/gpu to fall back to pppm for triclinic boxes
2020-05-06 12:07:23 -05:00
5b3a15bd94
putting implementation header first in package folder sources
2019-07-03 19:58:25 -04:00
985fc86aa3
use ev_init for kspace
2019-03-13 17:55:30 +01:00
83c830fd8a
port kspace refactor to GPU and KOKKOS package
2018-10-19 15:47:00 -04:00
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
20806dd86a
Fixed bugs with pppm/gpu when used with compute group/group
2017-02-14 00:26:55 -06:00
3c11e66b5a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15086 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-31 16:41:25 +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
4957e4a147
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12951 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-01-19 22:15:30 +00:00
1eb5be1591
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12950 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-01-19 22:14:11 +00:00
21ac09ad9c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12715 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-11-18 00:17:02 +00:00
d586a4bbbb
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12678 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-11-05 16:35:50 +00:00
f350cc4ec7
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12637 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-10-20 21:17:46 +00:00
2f5937b0a1
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11991 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-14 20:19:25 +00:00
103812fa84
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11758 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-04-09 16:52:19 +00:00
6ad1c9618b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10670 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-08-23 14:47:08 +00:00
7018102f9f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9847 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-05-08 21:08:55 +00:00
a746d1ce48
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9567 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-03-05 00:00:50 +00:00
a5c6bfb1c5
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9566 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-03-04 23:09:29 +00:00
d20a395d4d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9310 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-01-22 20:19:22 +00:00
54f60bf717
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9176 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-01-02 16:27:38 +00:00
d8efe2a7d3
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9044 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-11-09 18:53:01 +00:00
f1effd1c0d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8689 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-08-21 13:53:49 +00:00
93181e05b0
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8531 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-08-06 21:10:08 +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
