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1b4a7f4696
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Merge pull request #3377 from lammps/doc-pair-dipole-again
Tweak dipole doc page for clarity
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2022-08-03 16:17:27 -04:00 |
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94c1aa8c5a
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tweak dipole doc page
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2022-08-03 13:34:41 -06:00 |
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6c048f101e
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Merge pull request #3374 from akohlmey/airebo-tweaks
Small cleanup and performance tweak for spline evaluation in AIREBO pair style
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2022-08-03 13:32:40 -04:00 |
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7a5fa964b4
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Merge pull request #3370 from lammps/doc-pair-dipole
Edits to pair dipole doc page
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2022-08-03 12:47:08 -04:00 |
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1eaa807bbf
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clarification on what constituets single, double, and triple quotes.
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2022-08-03 01:50:11 -04:00 |
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d7901cb3af
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step version strings for the next patch release
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2022-08-02 13:03:37 -04:00 |
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2dd7c23b6f
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small performance tweak for 5th order spline evaluation
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2022-08-02 10:37:50 -04:00 |
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20c1644e6d
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adjusted kspace solver portion of page
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2022-08-01 15:10:49 -06:00 |
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67e0621806
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Merge pull request #3361 from akohlmey/collected-small-changes
Collected small changes and fixes
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2022-08-01 16:37:02 -04:00 |
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c0f4650d59
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add some .. versionadded:: statements to indicate the version a feature was added
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2022-08-01 03:54:39 -04:00 |
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f7b19a3d47
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Merge branch 'lammps:develop' into mliappy_unified
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2022-08-01 01:12:14 -06:00 |
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acadc299a7
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apply powint() in a few more cases
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2022-07-31 18:35:04 -04:00 |
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00cd92954c
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match pow(0,0) = 1.0 behavior in powint()
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2022-07-31 18:32:52 -04:00 |
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c5e1ce0b59
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switch from master to develop
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2022-07-31 16:56:47 -04:00 |
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daec261fa1
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use $(PIP_OPTIONS) consistently
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2022-07-30 17:26:46 -04:00 |
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d67d6beba9
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Merge remote-tracking branch 'github/develop' into collected-small-changes
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2022-07-30 17:15:49 -04:00 |
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5c30c493e6
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Merge pull request #3372 from rbberger/docs_update
Removes `easy_install` deprecation warnings in doc build
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2022-07-30 17:14:46 -04:00 |
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3f293e1c13
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Use pip install -e util/converters in doc build
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2022-07-29 17:56:01 -06:00 |
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2b126a00b1
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update Pizza.py URLs
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2022-07-29 19:23:23 -04:00 |
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0dc9b31620
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import updated version of tinker2lmp from @sjplimp. fix whitespace.
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2022-07-29 19:11:25 -04:00 |
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3a7a941cd5
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add false positive
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2022-07-29 17:06:06 -04:00 |
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ec4c458c7e
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add Pair::extract_atom() method
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2022-07-29 10:54:42 -06:00 |
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ac158a7b4b
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whitespace
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2022-07-29 06:58:48 -04:00 |
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d444bfc996
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Merge branch 'develop' into collected-small-changes
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2022-07-29 06:58:22 -04:00 |
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2ce33c14b7
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Merge pull request #3365 from pvelesko/chip_spv
Add CMake and GNU make support for HIP via CHIP-SPV
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2022-07-29 06:33:55 -04:00 |
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842b5b365e
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doc page clarifications
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2022-07-28 17:12:31 -06:00 |
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b8f4efcb6a
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pre-existing bug fix for delay option with dump computes for pe/virial
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2022-07-28 16:53:39 -06:00 |
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b6c62cce05
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additional tweaks to clarify fix sphere doc pages
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2022-07-28 16:30:00 -06:00 |
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bbc4ef3a20
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edits to pair dipole doc page
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2022-07-28 16:09:59 -06:00 |
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4de0944f8b
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streamlined string ops
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2022-07-28 15:24:58 -06:00 |
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c2d96ba911
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fix uninitialized memory access bug in memory usage computation for fix STORE
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2022-07-28 16:40:35 -04:00 |
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a4f4efcea0
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fix a couple typos and alphabetizing error
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2022-07-28 13:31:58 -06:00 |
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4d69c7aea2
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update embedded search box
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2022-07-28 15:01:35 -04:00 |
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348feddcb6
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new fix pair and dump_modify skip commands
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2022-07-28 12:45:20 -06:00 |
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5fee276348
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add some GNU Make magic(tm) to Makefile.hip to adapt itself to OpenMPI and MPICH
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2022-07-28 07:03:58 -04:00 |
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9258ab3a51
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document missing call
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2022-07-27 22:13:14 -04:00 |
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eb7759c869
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improve formatting and modernize
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2022-07-27 19:49:55 -04:00 |
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ad69c7d157
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simplify through using utils::strdup()
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2022-07-27 19:49:31 -04:00 |
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f039c00442
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add dump skip option
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2022-07-27 17:13:46 -06:00 |
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e583f54ca7
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fix off-by-one bug
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2022-07-27 19:12:36 -04:00 |
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8076624477
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Merge pull request #3364 from rbberger/add_citation_info
Add citation information to GitHub
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2022-07-27 16:02:11 -04:00 |
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6ff91ec020
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add more build info
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2022-07-27 13:28:45 -06:00 |
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afcfb3754c
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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
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2022-07-27 15:25:46 -04:00 |
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5904fa954e
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new examples/QM/LATTE dir with examples
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2022-07-27 13:17:18 -06:00 |
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925196a24f
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virial adjustments for MDI stress
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2022-07-27 09:38:23 -06:00 |
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56642ae184
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add a few more keywords
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2022-07-27 05:36:05 -04:00 |
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c986dd9b97
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correct make command line example
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2022-07-27 05:25:36 -04:00 |
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e7ffa7fae3
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Add Makefile support for CHIP-SPV
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2022-07-27 08:34:35 +00:00 |
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24b3de8727
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update documentation for CMake
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2022-07-27 06:41:19 +00:00 |
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6a5d56994a
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PR comments
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2022-07-27 06:25:36 +00:00 |
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