ad25af56a9
add reference in fix pimd/langevin document
2023-03-17 15:29:26 -04:00
14e30d61cf
more content
2023-03-17 08:36:10 -04:00
aca8bc4ea9
Merge branch 'develop' into pair_style_tutorial
2023-03-17 05:42:08 -04:00
073f21c0d9
spelling
2023-03-16 22:35:25 -04:00
e7b7d5804e
Update URL for EPEL
2023-03-16 21:23:02 -04:00
4e221803b0
Merge branch 'develop' into collected-small-changes
2023-03-16 20:53:04 -04:00
7c0fdbe2d9
Merge pull request #3512 from jtclemm/gran-temp
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Refactoring the GRANULAR package
2023-03-16 20:47:40 -04:00
5e6004961d
Merge branch 'develop' into collected-small-changes
2023-03-16 18:00:36 -04:00
224b1369a1
Merge pull request #3685 from akohlmey/more-tip4p-support
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Add TIP4P versions for compute dipole, compute dipole/chunk and fix efield
2023-03-16 17:59:58 -04:00
b41d826e0a
Merge branch 'develop' into gran-temp
2023-03-16 17:44:36 -04:00
120f5cf7f1
Minor patches to BPM, multi, and rigid
2023-03-16 15:20:18 -06:00
180ed2553c
Merge branch 'develop' into collected-small-changes
2023-03-16 12:54:48 -04:00
4940bda15f
remove references to "make install" for Python package installation
2023-03-15 23:08:46 -04:00
5071b2f016
update document notes part
2023-03-15 17:25:25 -04:00
4e0af69b67
update documentation keyword part
2023-03-15 17:06:28 -04:00
5dc9a570fa
Merge branch 'develop' into pair_style_tutorial
2023-03-14 10:10:52 -04:00
14180774b7
mention OpenMP support in the GPU library
2023-03-14 07:00:34 -04:00
a328537ee3
Merge branch 'develop' of https://github.com/lammps/lammps into pimd_langevin
2023-03-14 02:48:29 -04:00
92302d0f22
Merge branch 'develop' into mar2023_gpu_misc
2023-03-13 19:02:20 -04:00
2d8936068e
Merge pull request #3679 from ndtrung81/dielectric-bugfixes
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Dielectric package doc update and bugfix
2023-03-13 18:27:50 -04:00
6bec23e7db
Merge pull request #3668 from evoyiatzis/master
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Implementation of analytical expressions for Born matrix
2023-03-13 17:19:05 -04:00
8353c8336c
small tweaks
2023-03-13 15:31:45 -04:00
961c847c00
Merge branch 'develop' into pair_style_tutorial
2023-03-13 15:21:15 -04:00
ac848c91e9
add versionadded tag for fix mdi/qmmm
2023-03-12 17:19:50 -04:00
c34f398b5c
spelling and formatting fixes and improved consistency. fix broken/missing links.
2023-03-12 16:48:21 -04:00
a6185fa0b2
fixup whitespace
2023-03-12 00:56:17 -05:00
1887495434
Merge branch 'develop' into fix-mdi-qmmm
2023-03-12 00:53:40 -05:00
91aae79fdc
add docs for fix efield/tip4p
2023-03-11 18:13:44 -05:00
02854c1d5c
add compute dipole/tip4p and compute dipole/tip4p/chunk
2023-03-11 18:12:09 -05:00
233c55337c
fix typo
2023-03-10 12:35:17 -05:00
e8871d990a
clarify
2023-03-10 09:16:00 -05:00
5a593f06f6
apply make fix-whitespace
2023-03-10 02:00:18 -05:00
bbed5adeac
fix merge conflict
2023-03-08 17:08:56 -05:00
c3c99b701c
correct underline
2023-03-08 07:21:21 -05:00
7e1a21ad6e
Merge branch 'patch-1' of github.com:alanhsieh4444/lammps into collected-small-changes
2023-03-08 07:19:55 -05:00
451f3f71b8
Update molecule.rst
2023-03-08 13:37:46 +08:00
381d0445ed
fix spelling issues
2023-03-07 19:41:50 -05:00
76cbc6f48d
whitespace
2023-03-06 22:40:27 -05:00
3645ad9582
Merge branch 'develop' into collected-small-changes
2023-03-06 22:40:08 -05:00
795227d376
Merge pull request #3677 from lammps/fix-balance-sort-option
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Add sort option for load balancing commands
2023-03-06 17:03:08 -05:00
5909a0527b
update list of packages included into the Windows builds.
2023-03-06 13:39:50 -05:00
376c7899ab
add user option for performing message sorting during load balancing
2023-03-06 09:48:33 -07:00
4089b7bd37
Updated fix_deposit documentation
2023-03-06 11:11:49 -05:00
37f22c8627
Misc Improvements to GPU Package
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- Optimizations for molecular systems
- Improved kernel performance and greater CPU overlap
- Reduced GPU to CPU communications for discrete devices
- Switch classic Intel makefiles to use LLVM-based compilers
- Prefetch optimizations supported for OpenCL
- Optimized data repack for quaternions
2023-03-05 21:03:12 -08:00
7f934e3b25
add check for broken doc links to doc makefile
2023-03-04 17:09:17 -05:00
8aad97ca4a
fix broken doc links
2023-03-04 17:03:07 -05:00
fcf8fc503f
fix broken links
2023-03-04 16:24:58 -05:00
02f36f4e72
whitespace
2023-03-04 06:30:47 -05:00
6640e8b647
address some spelling and grammar issues flagged by languagetool.org
2023-03-04 00:43:43 -05:00
3df51305df
integrate updates for fix alchemy documentation from @sjplimp
2023-03-04 00:32:18 -05:00
