87afaa44fd
add notes on compiling LAMMPS for windows
2018-08-22 09:41:12 -04:00
2baa0b3452
nasty little bug
2018-08-22 03:32:17 -06:00
fd0b041e0e
remove debugging comments
2018-08-21 21:10:34 -06:00
bfd711ad12
fixed missing initialization of xpbc as well as deallocation in constructor
2018-08-21 17:29:38 -06:00
c23534019c
fixed typo in example file name
2018-08-21 17:28:42 -06:00
3573970e4a
fixed double definition, removed virial check for p3m and removed unused function definition Scafacos::pack...
2018-08-21 17:04:52 -06:00
8d79db03d3
Commit1 JT 082118
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- created pppm_dipole_spin.h/cpp (child-class of pppm_dipole)
- improved pair_spin_long.h/cpp
- created documentation for pair_spin_long
- new 3xN fm_long vector in atom_vec_spin (with associated comm)
2018-08-21 13:47:38 -06:00
c0150e80e9
Merge pull request #1068 from lammps/junghans-patch-1
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cmake/README.md: add BUILD_EXE option
2018-08-21 13:24:15 -06:00
4b0382cadd
Fixes issue #1069
2018-08-21 14:45:01 -04:00
fc7d9ff558
apply PBC to coords passed to scafacos
2018-08-21 11:12:21 -06:00
fd788e5bbd
cmake/README.md: add BUILD_EXE option
2018-08-21 09:25:06 -06:00
ee3b7a67a0
Merge pull request #1066 from rbberger/doc-fixes
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minor tweak to docs
2018-08-21 08:01:30 -06:00
2b5618dc40
Updates for Speed_gpu.txt doc page
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This corrects some inaccurate statements about required hardware and briefly discusses some OpenCL related basics. also a typo is fixed
2018-08-21 06:50:30 -04:00
95d462e5d3
bond/react: better template validity check
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now always throws error if a bond type changes, but both of of the involved atoms are too close to edge of template
2018-08-21 02:28:53 -06:00
3aedfbf9d5
Merge pull request #22 from lammps/master
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rebase
2018-08-20 22:57:04 -05:00
d66d696dff
minor tweak
2018-08-20 22:45:57 -04:00
cca1e0a399
Merge branch 'master' into granular-kokkos
2018-08-20 22:02:41 -04:00
2c19079707
Merge pull request #1062 from lammps/doc-reformat
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change format of Howto and Tools doc pages
2018-08-20 15:36:53 -06:00
937d4707dc
proposed SJP changes for 2nd cutoff_triple
2018-08-20 15:03:21 -06:00
21c332353a
Merge pull request #1065 from lammps/latte-ifort
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add a needed ifort flag for LAMMPS/LATTE link
2018-08-20 13:58:48 -06:00
f8faf4dfe2
cosmetic tweak to Howto page
2018-08-20 13:50:55 -06:00
c719af8bcd
remove wrong link optimization flag
2018-08-20 13:42:34 -06:00
f402d2f520
Merge pull request #1064 from junghans/cmake_fix
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cmake: required v3.7 for some DOWNLOAD options
2018-08-20 13:40:28 -06:00
044141eb8f
Merge pull request #1063 from akohlmey/small-doc-fixes
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Fix some documentation issues
2018-08-20 13:39:59 -06:00
2248bf12d5
Merge pull request #1061 from lammps/doc-tweak2
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doc typos and push author details back to website
2018-08-20 13:39:32 -06:00
0ca0e0a93c
mis-spelled word
2018-08-20 13:36:44 -06:00
f8e6e4275a
Merge branch 'master' of https://www.github.com/lammps/lammps into port-enforce2d-kokkos
2018-08-20 15:12:11 -04:00
e0fc050bf4
Changes to linux makefile.
2018-08-20 15:12:05 -04:00
639573ff87
more instructions on external lib downloads, and CMake versions
2018-08-20 13:10:26 -06:00
f73ffb829b
add a needed ifort flag for LAMMPS/LATTE link
2018-08-20 11:20:23 -06:00
353c004d6c
cmake: required v3.7 for some DOWNLOAD options
2018-08-20 10:07:49 -06:00
703a795af8
Modify Howto and Tools
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- add missing TOCs in Howto section
- limit section numbering to maximum of 3 levels
- add "Tool descriptions" header
2018-08-20 01:50:16 -04:00
dd2a1e4787
Fix typos in pair_kim.cpp
2018-08-18 12:38:29 -05:00
d0667d21cc
Merge branch 'master' into kim-v2-update
2018-08-18 12:23:19 -05:00
7aa7002347
Added check & error for KIM/LAMMPSvirial argument
2018-08-18 12:02:22 -05:00
9962f941e6
pair_kim - no need to comm vatom() values
2018-08-18 11:53:03 -05:00
4f37b46b10
Merge branch 'master' into small-doc-fixes
2018-08-17 11:24:25 -04:00
5436169c20
change format of Howto and Tools doc pages
2018-08-17 09:20:44 -06:00
7dac513235
doc typos and push author details back to website
2018-08-17 09:15:21 -06:00
6c5d339a94
Merge pull request #1060 from rbberger/doc-fixes
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Rename Run.txt to Run_head.txt to avoid file name clash on OSX
2018-08-17 08:51:11 -06:00
c0544ba346
Actually rename the file
2018-08-17 10:34:17 -04:00
eb7568a4fb
Fixes issue #1058
2018-08-17 10:13:19 -04:00
2a547ede68
Merge pull request #1059 from rbberger/cmake_fixes
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Add missing source file for KOKKOS with KSPACE
2018-08-17 06:49:04 -06:00
bfaa345536
add comment on KOKKOS compiler and platform support
2018-08-17 00:09:39 -04:00
f8c9ab4a3e
some rewrite/update of the accelerator comparison page removing outdated info
2018-08-16 23:47:00 -04:00
a8c687aee8
cleaner formatting in Sphinx for package tables
2018-08-16 22:41:48 -04:00
73540e6b44
remove unneeded comments
2018-08-16 22:33:38 -04:00
e05d471869
fix typo
2018-08-16 22:33:13 -04:00
4c3bd3909e
Add missing source file for KOKKOS with KSPACE
2018-08-16 18:49:45 -04:00
b7d64e0374
patch 16Aug18
2018-08-16 11:55:57 -06:00
