|
|
3d0fc4a112
|
update docs for updated CMake support with MinGW
|
2020-03-19 11:09:27 -04:00 |
|
|
|
5fbb1fa331
|
small tweak to MinGW preset and correct corresponding entry in documentation
|
2020-03-19 09:00:36 -04:00 |
|
|
|
42cff9270c
|
Merge branch 'master' into restart-consistency
|
2020-03-19 05:32:45 -04:00 |
|
|
|
b40bc3993d
|
Merge branch 'master' into restart-consistency
|
2020-03-19 00:54:04 -04:00 |
|
|
|
53bc791b52
|
Merge branch 'collected-small-changes' of github.com:akohlmey/lammps into collected-small-changes
|
2020-03-19 00:51:30 -04:00 |
|
|
|
f589cdb8c6
|
Merge branch 'master' into collected-small-changes
|
2020-03-19 00:29:08 -04:00 |
|
|
|
130113927b
|
add new preset "intel" to enable Intel compilers. Tweak Clang settings
|
2020-03-19 00:22:41 -04:00 |
|
|
|
b44d3afafe
|
next batch of converted files
|
2020-03-18 23:41:37 -04:00 |
|
|
|
17dd794514
|
Merge pull request #1891 from charlessievers/fix_numerical_differentiation
New fix to compute properties by numerical differences
|
2020-03-18 23:31:18 -04:00 |
|
|
|
060e4ff346
|
integrate fix numdiff into manual and remove bogus false positive from spellcheck
|
2020-03-18 23:09:43 -04:00 |
|
|
|
72b70a041d
|
small tweaks to align fix numdiff with the rest of the manual
|
2020-03-18 23:04:02 -04:00 |
|
|
|
842fe150eb
|
update coul/slater docs to align with recent changes in upstream
|
2020-03-18 21:07:57 -04:00 |
|
|
|
7ee63a0025
|
small spelling update
|
2020-03-18 21:02:40 -04:00 |
|
|
|
2714fad178
|
Merge branch 'master' into collected-small-changes
# Conflicts:
# doc/src/Build_development.rst
|
2020-03-18 20:59:16 -04:00 |
|
|
|
164bf1b60e
|
Merge pull request #1883 from evoyiatzis/master
Coulomb pair style with smeared out charges (coul/slater)
|
2020-03-18 20:52:47 -04:00 |
|
|
|
2b39c9968f
|
Merge pull request #1913 from jrgissing/molecule_template_moleculeIDs
Molecule template: molecule-IDs and fragments
|
2020-03-18 20:31:29 -04:00 |
|
|
|
3e36acc533
|
Merge branch 'master' into restart-consistency
# Conflicts:
# doc/src/fix_halt.rst
|
2020-03-18 20:30:00 -04:00 |
|
|
|
d1388b4ea8
|
Merge pull request #1941 from e-kwsm/typo
Fix typos in comments and output.
|
2020-03-18 20:24:06 -04:00 |
|
|
|
986e5b746e
|
new doc edits for refactored AtomVec styles
|
2020-03-18 16:40:29 -06:00 |
|
|
|
2cefddb16c
|
avoid spelling errors
|
2020-03-18 17:16:47 -04:00 |
|
|
|
b903cc6dc7
|
remove excessive details about how to compile with cmake. refer to cmake docs.
|
2020-03-18 17:12:36 -04:00 |
|
|
|
460dd662e4
|
next chunk of converted atc doc files
|
2020-03-18 11:39:53 -04:00 |
|
|
|
ca1e1e2dff
|
Convert British spelling to American
|
2020-03-18 23:09:23 +09:00 |
|
|
|
1db2538239
|
use "command" instead of "cmd"
|
2020-03-18 07:02:49 -04:00 |
|
|
|
280d5cc6ae
|
replace "xxxn't" with "xxx not"
|
2020-03-18 07:02:34 -04:00 |
|
|
|
38b1bf9ba5
|
add links to ctypes, ipython, and jupyter
|
2020-03-18 07:01:06 -04:00 |
|
|
|
5992bd24e7
|
some more converted atc fix_modify docs
|
2020-03-18 06:29:17 -04:00 |
|
|
|
d7cade9d46
|
Merge branch 'master' into molecule_template_moleculeIDs
|
2020-03-17 23:08:00 -06:00 |
|
|
|
d8a948d9b7
|
correct spelling
|
2020-03-17 21:13:03 -04:00 |
|
|
|
4a5125f450
|
make behavior of CMAKE_TUNE_FLAGS more consistent and allow to turn it off
|
2020-03-17 19:16:02 -04:00 |
|
|
|
f1e03aefc6
|
updating the pair potential docs, adding reference to OpenKIM
|
2020-03-17 16:07:22 -05:00 |
|
|
|
6f6855e831
|
do not advertise multiple targets in cmbuild wrapper
|
2020-03-17 15:57:33 -04:00 |
|
|
|
f893f4f8c7
|
set host specific optimizations in CMAKE_TUNE_FLAGS, so they can be conveniently overridden
|
2020-03-17 14:48:20 -04:00 |
|
|
|
5779731da3
|
provide cmbuild wrapper script for cmake. document it and add some improvements to CMake build docs
|
2020-03-17 13:04:38 -04:00 |
|
|
|
2d3423a493
|
updating the Packages_details, KIM package
|
2020-03-16 08:19:13 -05:00 |
|
|
|
cfc9fe7e39
|
updating the Commands_all, adding kim_property command
|
2020-03-16 08:18:19 -05:00 |
|
|
|
f203258ad5
|
updating the Build_extras, KIM package
|
2020-03-16 08:17:27 -05:00 |
|
|
|
dc373dbdeb
|
updating the kim_commands doc
|
2020-03-16 08:15:59 -05:00 |
|
|
|
4cdb904e54
|
next chunk of converted html files
|
2020-03-16 07:34:56 -04:00 |
|
|
|
649a8cc01a
|
Fix typo
|
2020-03-14 13:57:48 +09:00 |
|
|
|
b3040db1e7
|
Merge branch 'master' into atc-doc-to-rst
# Conflicts:
# doc/src/fix_atc.rst
|
2020-03-13 21:12:12 -04:00 |
|
|
|
7c6353731e
|
Merge pull request #1938 from akohlmey/doc-remove-backslash-underscore
Remove unneeded escapes in documentation source files
|
2020-03-13 21:01:04 -04:00 |
|
|
|
f1cc6c6e57
|
Merge pull request #1928 from akohlmey/collected-small-fixes
Collected small fixes and updates for the next patch release
|
2020-03-13 19:44:04 -04:00 |
|
|
|
6805113780
|
some more typesetting improvements
|
2020-03-13 19:41:33 -04:00 |
|
|
|
cdec46ba6a
|
Some more code-blocks instead of parsed-literal
|
2020-03-13 18:38:47 -04:00 |
|
|
|
e4d6214d3b
|
reformat source
|
2020-03-13 18:08:47 -04:00 |
|
|
|
f11e431300
|
some updates to building with cmake
|
2020-03-13 18:07:49 -04:00 |
|
|
|
8063088149
|
fix a couple of settings
|
2020-03-13 18:07:32 -04:00 |
|
|
|
0c0308db3e
|
some more fixups
|
2020-03-13 17:02:59 -04:00 |
|
|
|
a990f1dc89
|
some minor fixups
|
2020-03-13 16:42:08 -04:00 |
|
