f2ba00ea9c
update label in graph
2020-10-05 21:50:54 -04:00
549e4df506
Merge branch 'progguide-richard' into progguide-axel
2020-10-05 21:04:29 -04:00
80a054471d
Merge branch 'progguide-updates' into progguide-richard
2020-10-05 19:31:03 -04:00
5244f49234
Fix broken page
2020-10-05 18:04:30 -04:00
caf434811a
Add example to Python_config.rst
2020-10-05 17:54:48 -04:00
b8c66b099d
Fix typo
2020-10-05 17:42:43 -04:00
93ed9b4266
Add PyLammps parts
2020-10-05 17:34:50 -04:00
02b10380bc
Create ctypes only neighbor list API variant
...
This moves the lammps.get_neighlist() method to lammps.numpy.get_neighlist().
lammps.get_neighlist() now returns a NeighList object, while the NumPy variants
returns a NumPyNeighList object. The main difference between the two is that while
the ctypes variant returns neighlist elements as
atom idx (int), numneighs (int), neighbors (POINTER(c_int))
the NumPy variant returns
atom idx (int), neighbors (numpy.array)
2020-10-05 16:21:37 -04:00
68147306e7
Add Python_neighbor.rst
2020-10-05 16:15:40 -04:00
c06348c507
Update Python docs
2020-10-05 15:07:57 -04:00
8f808a5e6e
Update Python_usage.rst and Python_module.rst
2020-10-05 14:06:09 -04:00
ed17eabe17
Add missing code highlights
2020-10-05 14:04:44 -04:00
884295eb5f
Add example showing Python exception handling
2020-10-05 14:04:14 -04:00
6672568fca
Change links
2020-10-05 14:03:50 -04:00
fb1bd3e962
Correct links
2020-10-02 18:01:52 -04:00
d91d8de76d
Refactor LammpsNumpyWrapper to numpy_wrapper
...
LammpsNumpyWrapper was a class that was defined inside of the
lammps.numpy property when it was first accessed. This made it hard
to document the methods of this class.
This commit extracts this utility class into the lammps module and
renames it to 'numpy_wrapper'.
2020-10-02 17:28:25 -04:00
0475397229
Update Python_usage.rst
2020-10-02 17:19:51 -04:00
60891fe6f9
Add Python_config.rst
2020-10-02 17:19:04 -04:00
1f417f8eb4
mention Fortran interface in examples/COUPLE/fortran2 now that it is up-to-date again
2020-10-02 00:28:13 -04:00
c5fc3f2c78
Update Python_usage.rst
2020-10-01 18:01:07 -04:00
533c453a08
Update Python docs
2020-10-01 15:00:08 -04:00
9dc42262ec
one more edit
2020-10-01 11:34:27 -06:00
343b24dd5e
more edits to C library chapter
2020-10-01 10:50:33 -06:00
9efcaf2d61
update documentation for Windows installer
2020-10-01 00:57:53 -04:00
507c2cb2a8
Update and reorganize Python docs
2020-09-30 22:20:01 -04:00
77fb2ee311
add list of documented functions at the top of the C-Library doc pages
2020-09-30 21:16:48 -04:00
dc13a61b40
fix spelling
2020-09-30 20:00:53 -04:00
a9b27caf17
Merge branch 'master' into progguide-axel
2020-09-30 19:57:20 -04:00
38d954e038
Update the text to mention returning the handle instead of passing it as an argument.
2020-09-30 19:54:07 -04:00
0d9a2808b4
Merge branch 'progguide-updates' of github.com:lammps/lammps into progguide-axel
2020-09-30 19:50:00 -04:00
6928e79883
Merge pull request #2395 from rbberger/collected-small-fixes
...
Fixes issues found via Static Code Analysis and from bug reports
2020-09-30 19:23:52 -04:00
4b71e1cbda
initial library doc page edits
2020-09-30 15:37:11 -06:00
e4cfb91169
discuss that USER-MESONT package potentials are not bundled and provide URL
2020-09-29 16:57:19 -04:00
54c4b95c4d
small format tweak
2020-09-28 14:09:03 -04:00
405c1b98c5
remove inactive code and documentation for dump image persp option
2020-09-28 08:19:26 -04:00
d868271b01
remove unneeded escapes from input examples
2020-09-28 07:52:38 -04:00
9d39587d37
expand c-library properties example
2020-09-27 19:05:40 -04:00
b11b420b08
small doc update for singularity
2020-09-26 22:30:05 -04:00
5e110fe707
update docs for autodetected OpenMP compatibility
2020-09-25 16:45:39 -04:00
5489c64aef
remove trailing whitespace
2020-09-25 16:32:54 -04:00
cc5ef652e4
move Using Python with LAMMPS to programmer guide and integrate python module docs
2020-09-25 15:13:05 -04:00
0ffb2ce09c
move Tutorials to bottom of Howto section
2020-09-25 15:12:31 -04:00
5e6d222d29
fix up a few internal references
2020-09-25 14:04:44 -04:00
495438105f
mass renaming of programmer guide files
2020-09-25 13:59:29 -04:00
9a523fef65
add bibliography
2020-09-25 13:48:22 -04:00
089e55cc37
fix typo
2020-09-25 13:48:05 -04:00
28812b1ea7
Merge pull request #2381 from akohlmey/collected-small-changes
...
Collected small changes
2020-09-24 16:17:28 -04:00
2f8a5ddd1f
xindy doesn't seem to be required (and is not available on CentOS 8)
2020-09-23 17:13:09 -04:00
b6d98707ec
molecule: revert overzealous error checking
2020-09-23 11:23:10 -04:00
2b30661b07
molecule: correctly update docs
2020-09-23 10:46:23 -04:00
