Commit Graph

31554 Commits

Author SHA1 Message Date
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
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
4f8a1ca526 correct formatting 2022-07-26 12:32:42 -04:00
e973a4b31c workaround for CHIP-SPV different textrure func 2022-07-26 16:19:11 +00:00
b2cdc40919 Enable CHIP-SPV support 2022-07-26 16:00:43 +00:00
d347a27a39 add reference 2022-07-26 09:19:45 -04:00
5f67850171 correct typos 2022-07-25 22:32:59 -04:00
7b54b974d3 remove dead code 2022-07-25 11:48:21 -04:00
f736248efb replace calls to pow() with faster functions for integer powers 2022-07-25 09:17:37 -04:00
6dc9664087 avoid uninitialized data access 2022-07-25 09:06:09 -04:00
e99494d838 fix copy-n-paste error 2022-07-25 09:02:54 -04:00
bcc49aca84 fix logic issue 2022-07-25 09:01:26 -04:00
762e79c49d initialize possibly uninitialized variabled 2022-07-25 09:01:14 -04:00
87d1aef543 clarify whom to contact with questions about pre-built binaries. update ubuntu info 2022-07-24 18:12:04 -04:00
cdf600b8cd update description 2022-07-22 14:34:09 -04:00
40920ac6e1 improved error messages for duplicate or missing entries in manybody potential files 2022-07-22 12:41:43 -04:00