20e1697dba
add ":class: note" to admonitions where it was missing for consistent formatting
2020-10-07 20:24:56 -04:00
08f8e7ed28
update titles as suggested by steve and move a few entries around
2020-10-07 20:07:30 -04:00
ac6e99ae81
implement "mem" command into LAMMPS shell to print current and max memory use
2020-10-07 18:36:43 -04:00
50bfb9142d
add library API to print OS/Compiler info (for use with LAMMPS shell)
2020-10-07 18:35:59 -04:00
57cc8d6290
fix incorrectly formatted "notes"
2020-10-07 18:35:05 -04:00
395906b387
whitespace
2020-10-07 13:07:57 -04:00
5fa1cd7e86
small corrections
2020-10-07 05:33:55 -04:00
355c68f304
Merge branch 'master' into progguide-axel
2020-10-06 21:40:43 -04:00
f0f933a711
allow forward slash in strings for if statements
2020-10-06 18:44:26 -04:00
15f9987c32
add custom commands "cd" and "pwd" to the LAMMPS shell
2020-10-06 18:39:22 -04:00
1ee9e4eabd
Merge branch 'master' into progguide-axel
2020-10-06 17:11:47 -04:00
9274912a81
add note about no longer supporting PyPar and remove instructions related to it.
2020-10-06 16:19:43 -04:00
2f857176c8
stay compatible with cmake older than version 3.14
2020-10-06 13:45:46 -04:00
1afd9b1c83
update Python installation docs
2020-10-06 12:15:56 -04:00
7dd244a828
Correct fix wall/gran and wall/gran/region docs
2020-10-06 10:45:23 -04:00
5d08f629ab
fix typo
2020-10-06 05:30:09 -04:00
e3b8563ed9
correcting spelling errors
2020-10-05 21:28:26 -06:00
dddafb3c92
Merge pull request #104 from lammps/master
...
rebase
2020-10-05 23:19:23 -04:00
b5db29bae4
revise python in LAMMPS docs
2020-10-05 22:48:57 -04:00
3147dd850c
adding corrections to doc page
2020-10-05 20:01:34 -06:00
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
e95bab1994
Merge branch 'clean-master2' of github.com:julient31/lammps into exchange-biquadratic
2020-10-05 13:38:37 -06:00
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
113db3ac73
fold group specific query functions into the more generic ID query functions
2020-10-05 13:41:12 -04:00
f3b33ea0c6
address spelling issues
2020-10-04 14:10:35 -04:00
d1e76068e8
add new APIs to library docs
2020-10-04 14:10:18 -04:00
ffcd905bf1
complete LAMMPS shell docs interation. Warn if exceptions are missing but don't fail
2020-10-04 14:03:34 -04:00
b1cc9949e4
include added introspection into docs
2020-10-03 23:38:22 -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
121dc82f1b
Merge branch 'clean-master2' of https://github.com/julient31/lammps into exchange-biquadratic
2020-10-02 10:57:38 -06:00
84c104641b
adding offset option and doc
2020-10-02 10:47:29 -06:00
a0d0f96e52
make f2c_string utility function portable across fortran compilers
2020-10-02 10:36:17 -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
