|
|
968cde7f41
|
protect against failed lookup of 4th atom
|
2022-08-05 04:23:06 -04:00 |
|
|
|
b4df4bffae
|
Merge pull request #3380 from stanmoore1/kk_small_changes
Small changes in KOKKOS package
|
2022-08-04 16:51:21 -04:00 |
|
|
|
a28ceb4d80
|
Merge pull request #3378 from lammps/doc-updates
Add missing portions of a couple doc pages
|
2022-08-04 15:43:48 -04:00 |
|
|
|
083a662a5c
|
small rewrite
|
2022-08-04 13:06:30 -04:00 |
|
|
|
8d9e0ee9c8
|
HIP tuning
|
2022-08-04 13:01:24 -04:00 |
|
|
|
b393bcf6a9
|
Remove unused non-public header
|
2022-08-04 13:01:13 -04:00 |
|
|
|
184f55b99f
|
fix cut/paste error
|
2022-08-04 08:53:43 -06:00 |
|
|
|
53f49a160f
|
add missinng portions of a couple doc pages
|
2022-08-04 08:49:38 -06:00 |
|
|
|
883a25bbd8
|
Merge pull request #3375 from akohlmey/next_patch_release
Step version strings for the next patch release
patch_3Aug2022
|
2022-08-03 17:49:36 -04:00 |
|
|
|
1b4a7f4696
|
Merge pull request #3377 from lammps/doc-pair-dipole-again
Tweak dipole doc page for clarity
|
2022-08-03 16:17:27 -04:00 |
|
|
|
94c1aa8c5a
|
tweak dipole doc page
|
2022-08-03 13:34:41 -06:00 |
|
|
|
6c048f101e
|
Merge pull request #3374 from akohlmey/airebo-tweaks
Small cleanup and performance tweak for spline evaluation in AIREBO pair style
|
2022-08-03 13:32:40 -04:00 |
|
|
|
7a5fa964b4
|
Merge pull request #3370 from lammps/doc-pair-dipole
Edits to pair dipole doc page
|
2022-08-03 12:47:08 -04:00 |
|
|
|
1eaa807bbf
|
clarification on what constituets single, double, and triple quotes.
|
2022-08-03 01:50:11 -04:00 |
|
|
|
d7901cb3af
|
step version strings for the next patch release
|
2022-08-02 13:03:37 -04:00 |
|
|
|
2dd7c23b6f
|
small performance tweak for 5th order spline evaluation
|
2022-08-02 10:37:50 -04:00 |
|
|
|
20c1644e6d
|
adjusted kspace solver portion of page
|
2022-08-01 15:10:49 -06:00 |
|
|
|
67e0621806
|
Merge pull request #3361 from akohlmey/collected-small-changes
Collected small changes and fixes
|
2022-08-01 16:37:02 -04:00 |
|
|
|
c0f4650d59
|
add some .. versionadded:: statements to indicate the version a feature was added
|
2022-08-01 03:54:39 -04:00 |
|
|
|
acadc299a7
|
apply powint() in a few more cases
|
2022-07-31 18:35:04 -04:00 |
|
|
|
00cd92954c
|
match pow(0,0) = 1.0 behavior in powint()
|
2022-07-31 18:32:52 -04:00 |
|
|
|
c5e1ce0b59
|
switch from master to develop
|
2022-07-31 16:56:47 -04:00 |
|
|
|
daec261fa1
|
use $(PIP_OPTIONS) consistently
|
2022-07-30 17:26:46 -04:00 |
|
|
|
d67d6beba9
|
Merge remote-tracking branch 'github/develop' into collected-small-changes
|
2022-07-30 17:15:49 -04:00 |
|
|
|
5c30c493e6
|
Merge pull request #3372 from rbberger/docs_update
Removes `easy_install` deprecation warnings in doc build
|
2022-07-30 17:14:46 -04:00 |
|
|
|
3f293e1c13
|
Use pip install -e util/converters in doc build
|
2022-07-29 17:56:01 -06:00 |
|
|
|
2b126a00b1
|
update Pizza.py URLs
|
2022-07-29 19:23:23 -04:00 |
|
|
|
0dc9b31620
|
import updated version of tinker2lmp from @sjplimp. fix whitespace.
|
2022-07-29 19:11:25 -04:00 |
|
|
|
3a7a941cd5
|
add false positive
|
2022-07-29 17:06:06 -04:00 |
|
|
|
ac158a7b4b
|
whitespace
|
2022-07-29 06:58:48 -04:00 |
|
|
|
d444bfc996
|
Merge branch 'develop' into collected-small-changes
|
2022-07-29 06:58:22 -04:00 |
|
|
|
2ce33c14b7
|
Merge pull request #3365 from pvelesko/chip_spv
Add CMake and GNU make support for HIP via CHIP-SPV
|
2022-07-29 06:33:55 -04:00 |
|
|
|
b6c62cce05
|
additional tweaks to clarify fix sphere doc pages
|
2022-07-28 16:30:00 -06:00 |
|
|
|
bbc4ef3a20
|
edits to pair dipole doc page
|
2022-07-28 16:09:59 -06:00 |
|
|
|
c2d96ba911
|
fix uninitialized memory access bug in memory usage computation for fix STORE
|
2022-07-28 16:40:35 -04:00 |
|
|
|
4d69c7aea2
|
update embedded search box
|
2022-07-28 15:01:35 -04:00 |
|
|
|
5fee276348
|
add some GNU Make magic(tm) to Makefile.hip to adapt itself to OpenMPI and MPICH
|
2022-07-28 07:03:58 -04:00 |
|
|
|
9258ab3a51
|
document missing call
|
2022-07-27 22:13:14 -04:00 |
|
|
|
eb7759c869
|
improve formatting and modernize
|
2022-07-27 19:49:55 -04:00 |
|
|
|
ad69c7d157
|
simplify through using utils::strdup()
|
2022-07-27 19:49:31 -04:00 |
|
|
|
e583f54ca7
|
fix off-by-one bug
|
2022-07-27 19:12:36 -04:00 |
|
|
|
8076624477
|
Merge pull request #3364 from rbberger/add_citation_info
Add citation information to GitHub
|
2022-07-27 16:02:11 -04:00 |
|
|
|
afcfb3754c
|
Merge pull request #3358 from akohlmey/old-version-porting
Add a section to manual with info on updating old source code for current LAMMPS versions
|
2022-07-27 15:25:46 -04:00 |
|
|
|
56642ae184
|
add a few more keywords
|
2022-07-27 05:36:05 -04:00 |
|
|
|
c986dd9b97
|
correct make command line example
|
2022-07-27 05:25:36 -04:00 |
|
|
|
e7ffa7fae3
|
Add Makefile support for CHIP-SPV
|
2022-07-27 08:34:35 +00:00 |
|
|
|
24b3de8727
|
update documentation for CMake
|
2022-07-27 06:41:19 +00:00 |
|
|
|
6a5d56994a
|
PR comments
|
2022-07-27 06:25:36 +00:00 |
|
|
|
8d5149fade
|
Add citation information to GitHub
|
2022-07-26 19:52:01 -06:00 |
|
|
|
11897db197
|
add check on extracting elements twice from the library to avoid opaque error later
|
2022-07-26 15:00:27 -04:00 |
|
