55a802afe3
Merge remote-tracking branch 'github/master' into collected-small-changes
2021-09-07 14:20:53 -04:00
19e6a9e0d8
Merge pull request #2924 from ohenrich/cg-dna
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CG-DNA: Documentation Update
2021-09-07 14:12:07 -04:00
909376b14b
Merge branch 'master' into collected-small-changes
2021-09-07 13:32:21 -04:00
9a8a4a111f
include utils::binary_search in docs
2021-09-06 18:16:07 -04:00
bb0188ac1a
Corrected linking errors
2021-09-06 13:29:40 +01:00
57cea77fe9
Updated online docu
2021-09-06 11:38:21 +01:00
b132a7eb3a
Updated docu to new oxdna atom_style
2021-09-06 09:47:46 +01:00
0286c3e2be
treat Py_Finalize() more like MPI_Finalize()
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this is done by
- not automatically calling Py_Finalize() when destructing a python interpreter
- adding wrapper functions so that the call to Py_Finalize() is hidden
and skipped if Python support is no included.
- call the Python::finalize() wrapper in main.cpp (similar to the equivalent Kokkos function)
- add a wrapper of that call to the C library interface
2021-09-04 13:53:51 -04:00
f768b701ee
add -skiprun command line flag that sets a timeout so that run and minimizations loops are skipped
2021-09-03 11:21:42 -04:00
bca9157405
Correct fix bond/swap doc page
2021-09-02 14:10:43 -04:00
000b4c5fda
integrate fix ttm/grid properly into the documentation
2021-08-31 16:20:21 -04:00
c567f33cc1
apply spelling fixes and update formatting a little
2021-08-31 16:17:03 -04:00
ae2f0ef18d
whitespace
2021-08-31 16:05:11 -04:00
191e4671b6
Add section about how to output YAML or JSON
2021-08-31 11:28:13 -04:00
de0aa1e97a
Fixup ttm doc page
2021-08-31 11:28:08 -04:00
66fc0438a8
Merge branch 'master' into fix-ttm-grid
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# Conflicts:
# doc/src/pair_snap.rst
2021-08-30 16:37:51 -04:00
284ed98fb8
fix spelling error and reformat paragraph
2021-08-29 22:08:49 -04:00
f49b94e126
update docs. mention support for comments in electron temperature grid files
2021-08-28 07:42:55 -04:00
59a6c08a43
correct spelling
2021-08-27 20:32:42 -04:00
a66f3dfbdd
Merge branch 'master' into fix-ttm-grid
2021-08-27 19:56:42 -04:00
4eef3eaac6
Merge branch 'master' into collected-small-changes
2021-08-27 14:58:42 -04:00
e363b4aeff
Merge pull request #2905 from weinbe2/fea-snap-large-system
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Kokkos SNAP large system optimizations and cleanup
2021-08-27 14:23:37 -04:00
9658d1d983
Bump up the default chunksize in SNAP and update the docs
2021-08-27 12:34:19 -04:00
aa9f337ef5
Small tweak to docs
2021-08-27 10:47:11 -04:00
ecba2d8489
Update doc page
2021-08-27 10:33:18 -04:00
cfaa3040ed
add a comment explaining the restriction to C and H elements in AIREBO/REBO
2021-08-27 10:02:53 -04:00
a85f125ee7
whitespace
2021-08-26 16:58:14 -04:00
892a18c3f6
Merge branch 'master' into fix-ttm-grid
2021-08-26 16:57:19 -04:00
7b3e7d3d3a
allow for command-line setting of initial temp
2021-08-26 11:52:07 -06:00
c7357d5731
Merge remote-tracking branch 'github/master' into collected-small-changes
2021-08-26 05:30:50 -04:00
6fcd4c0e30
Merge remote-tracking branch 'github/master' into doc-intro-updates
2021-08-26 05:29:53 -04:00
1d33bd1264
whitespace
2021-08-26 01:05:25 -04:00
acf80f5c89
Merge branch 'master' into doc-intro-updates
2021-08-26 01:03:25 -04:00
2845269bdb
use MBytes consistently
2021-08-26 01:00:08 -04:00
5361af7082
notes on reducing disk space requirements when building LAMMPS from source
2021-08-25 22:51:21 -04:00
c3083785b7
list some more features
2021-08-25 22:02:51 -04:00
4846d8283e
convert chain.f to fortran 90+ style free format file chain.f90
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this is to maintain compatibility with some newer fortran compilers
that do not support legacy style fortran by default anymore.
2021-08-25 18:38:08 -04:00
0a07f4eae0
spelling issues
2021-08-24 23:48:17 -04:00
c6145e029a
update features list
2021-08-24 23:46:06 -04:00
026d7bd112
update description of development model and release cycles
2021-08-24 23:26:22 -04:00
e4e08972f8
update overview text
2021-08-24 23:02:49 -04:00
5ba6fee94e
Merge branch 'master' into SLLOD-Kokkos
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# Conflicts:
# src/KOKKOS/compute_temp_kokkos.h
2021-08-24 21:48:03 -04:00
4fb67c0cc6
mention pre-C++-11 version as C++-98 version.
2021-08-23 23:25:16 -04:00
d561fe3457
clarify license terms description and reduce redundancy. mention LGPL verison
2021-08-23 23:24:47 -04:00
897dfdfb19
some updates to authors list
2021-08-23 23:24:06 -04:00
e6455c2153
fix spelling errors
2021-08-23 23:12:23 -04:00
3bce886ab7
workaround style checker issue
2021-08-23 22:16:39 -04:00
c84ebd1c93
update docs for build options for development
2021-08-23 21:43:49 -04:00
1ee1471b56
fix spelling errors
2021-08-23 21:42:48 -04:00
9ce9d36ac5
correct package designations for styles in the EXTRA-MOLECULES package
2021-08-22 11:27:48 -04:00
