fef2b8260b
Correct CMake FFT settings in docs
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The upper or lowercase matters. It won't work with lower case.
2018-08-13 11:46:46 -04:00
6e8a68a420
fix a bunch of typos and broken links as detected by ebook-convert
2018-08-12 17:16:24 +02:00
11f04fde5c
fix typo
2018-08-12 16:44:31 +02:00
e01185c283
correct some errors and misconceptions about zlib and USER-OMP
2018-08-12 16:44:26 +02:00
907b061e0b
more updates to Build doc page
2018-08-10 15:04:33 -06:00
165fa01a97
Cleanup
2018-08-10 14:23:51 -06:00
8f665a5a0f
Update Kokkos docs for data duplication
2018-08-10 13:46:03 -06:00
b33452040a
correct FFT definitions in docs and make -DFFT_KISSFFT explicit in CMake
2018-08-10 17:27:40 +02:00
ddd8533d81
make -DLAMMPS_MEMALIGN optional in CMake by checking of 0 alignment. also some rewording.
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this changes the CMake configuration file.
also, the special case of Windows not supporting posix_memalign() is documented.
some more explanations for FFTs and memory alignment are added
2018-08-10 16:33:20 +02:00
bc8939a08b
more corrections/rewrites/additions for OpenMP, QM/MM and USER-QUIP
2018-08-10 15:55:32 +02:00
f67b198c24
discourage the use of MEAM and REAX, which have been supersede by USER-MEAMC and USER-REAXC
2018-08-10 13:04:31 +02:00
13d1f26a0f
provide additional information about building QM/MM with QE
2018-08-10 12:15:49 +02:00
8318b96c11
update OpenMP support info in build basics
2018-08-10 11:54:51 +02:00
0b523cb48e
some rewording and updates for the traditional and cmake documentation
2018-08-10 11:38:59 +02:00
76289cd955
Add LAMMPS shared library instructions for CMake
2018-08-09 17:50:55 -04:00
edb535d36f
Fix some of the missing TODOs in cmake docs
2018-08-09 17:21:00 -04:00
4db08f5351
Some tweaks and corrections
2018-08-09 16:02:54 -04:00
630a46ad67
Move Manual_version to Intro
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It should not be its own chapter. The intro seems to be the right place for it.
2018-08-09 14:53:40 -04:00
aca9416c7f
Merge branch 'master' into doc-reorg-start and resolve merge conflicts with master
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Conflicts:
doc/src/Speed_kokkos.txt
doc/src/package.txt
2018-08-09 20:18:12 +02:00
f7164e593e
fix a few more broken or non-unique links
2018-08-09 20:09:11 +02:00
a5170e93ec
fix a bunch more broken, duplicate links and misformatted text
2018-08-09 19:46:25 +02:00
108f2d0ed7
Merge branch 'collected-small-changes' into doc-reorg-start
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Resolved Conflicts:
doc/src/Packages_details.txt
doc/src/Python_shlib.txt
doc/src/fix_manifoldforce.txt
2018-08-09 18:48:11 +02:00
6663fbeb11
Merge pull request #928 from akohlmey/fix-rcb-balance-issue
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Fix rcb balance issue
2018-08-09 10:24:38 -06:00
cfc1b3a823
more changes induced by removing Section_start.txt
2018-08-09 10:20:02 -06:00
c97e6537c8
changes to replace Section_start.txt
2018-08-09 10:19:10 -06:00
bb25e5d98a
adjust header levels for Tools section
2018-08-09 17:13:07 +02:00
8e9ea1e4fa
formatting tweak for Build the manual page
2018-08-09 17:13:07 +02:00
f4ea28cd32
update src/lammps.book file with missing entries
2018-08-09 17:13:07 +02:00
1604f011d2
fix a couple more broken links
2018-08-09 17:13:07 +02:00
a065143723
create missing "Build_manual.txt" file from 'doc/README'
2018-08-09 17:13:07 +02:00
df20fbbca4
fix a bunch of broken linke or make links unique across files
2018-08-09 17:13:07 +02:00
d5594350c4
change zero-size shrink box to original box
2018-08-09 08:50:11 -06:00
9521814441
rename Kokkos::gpu_direct to Kokkos::gpu_direct_flag
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This is for consistency with other parts of LAMMPS where
such variables have "flag" in their name. Also reduces
confusion with have_gpu_direct() function.
When we can safely detect, that GPU-direct is not available,
change the default setting of Kokkos::gpu_direct_flag from 1 to 0
2018-08-09 04:52:58 -04:00
dd9fed11dc
use '-pk kokkos gpu/direct on/off' consistently in comments and docs
2018-08-09 04:16:22 -04:00
1c550d8f39
Change defaults for GPU-direct to use comm host
2018-08-08 16:46:36 -06:00
d8aa6d534b
Remove hardcoded GPU-direct in KOKKOS package
2018-08-08 16:09:41 -06:00
74633ce28f
fixed merge conflict
2018-08-08 09:53:27 -06:00
64e152bced
add some notes about GPU-direct support requirements to the manual
2018-08-08 14:25:49 +02:00
48fd8b46ee
cleaned documentation, added p3m entry for allowed tolerance type
2018-08-07 15:04:37 -06:00
4d75d2d611
more changes to ATM source and doc file
2018-08-06 20:49:05 +01:00
fba9f0aaae
Fix various links
2018-08-06 00:10:06 -04:00
6927ed5eb9
Fix pair body rounded polygon and polyhedron links
2018-08-06 00:01:38 -04:00
6de3dab72a
Remove duplicates
2018-08-05 23:59:52 -04:00
82744773b3
replace Section_commands.txt file
2018-08-03 16:04:54 -06:00
463e34cef5
Merge remote-tracking branch 'origin/master' into HEAD
2018-08-03 08:13:12 -06:00
2321c8ff37
Merge remote-tracking branch 'origin/master' into doc-reorg-intro-howto
2018-08-03 00:12:58 -04:00
9cc75792d6
Update lammps.book
2018-08-02 23:29:29 -04:00
b2d1332d46
change proc count to color for MPI_Comm_split
2018-08-02 14:47:20 -06:00
f330013584
lost SPIN in package list
2018-08-02 14:26:02 -06:00
39f61a78f2
couple more doc page tweaks
2018-08-02 14:09:00 -06:00
