93be2d264e
Detect correct integer type in lammps python interface
2017-12-02 00:39:15 -05:00
6f7bd78ea2
Fixes issue #701
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PyLammps now supports thermo_style entries such as c_msd[4]
2017-11-29 01:06:44 -05:00
45aa7de171
Limit IPython autocomplete to known commands and properties
2017-10-12 14:43:17 -04:00
0b5a2e199d
Add way of getting correct ctypes integer type for bigint, tagint, and imageint
2017-09-04 20:01:31 -04:00
09bb687918
Correct indentation
2017-09-04 20:01:04 -04:00
bb3ee752e5
Added optional numpy access to atom data
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The library interface was extended to provide direct access to atom data using
numpy arrays. No data copies are made and numpy operations directly manipulate
memory of the native code.
To keep this numpy dependency optional, all functions are wrapped into the
lammps.numpy sub-object which is only loaded when accessed.
2017-09-04 19:59:50 -04:00
71553cf732
Fix PyLammps regression after output.cpp change
2017-07-31 13:53:41 -06:00
9a027a01da
Add Python 3 compatibility to PYTHON package
2017-04-11 20:24:42 -04:00
79cae51156
Document property 'uses_exceptions' of Python interface
2017-03-15 22:20:30 -04:00
a210867025
Fixes lammps_create_atoms library function and its Python interface variant
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The interface of that function has changed and includes two additional
parameters, which haven't been added to the Python interface either.
This showed up by trying to run the simple.py example.
2017-03-15 22:13:06 -04:00
0262a54ecf
Fix Python 3 compatibility by encoding strings passed as c_char_p
2017-03-15 22:00:43 -04:00
d9891abdf4
new library functions
2016-10-27 09:34:04 -06:00
2106dce2b3
new fix halt command, other sundry small bug fixes
2016-10-18 13:11:40 -06:00
0b426dadc1
do not require the LAMMPS shared library when loading the python wrapper from inside LAMMPS
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Thanks to Giacomo Fiorin for figuring this out with NAMD/Colvars.
This requires linking with -Xlinker -export-dynamic or equivalent,
which is the default when using python-config to provide linker flags.
We will fall back to loading the DSO in case the initial load fails.
2016-10-12 18:36:38 -04:00
e2caf5c105
Fix code path which allows passing a C++ ptr to PyLammps
2016-10-04 13:57:21 -04:00
91be47a0d0
Revert type checking commit from July
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0aebb2eabe
2016-10-04 11:43:12 -04:00
f718c54430
sync with GH
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15634 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-09-23 21:04:56 +00:00
484122b8b6
sync with GH
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15592 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-09-16 19:21:34 +00:00
159d722cc2
removing searchindex.js
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15533 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-09-01 01:55:31 +00:00
f94bbc0de0
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15532 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-08-31 22:21:11 +00:00
952a0d1fb7
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15359 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-07-22 22:58:42 +00:00
778f4d338c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15358 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-07-22 22:57:54 +00:00
80fce623ec
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2016-07-15 22:59:07 +00:00
194a512168
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2016-05-31 16:45:20 +00:00
c3a95c782b
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2016-05-12 13:53:40 +00:00
a70623ee43
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14592 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-02-15 15:30:15 +00:00
900a3aaf9d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14328 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-09 21:10:06 +00:00
b10ae0abaf
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14270 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-11-21 00:35:23 +00:00
ae980d6fd1
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2015-09-02 20:41:38 +00:00
79e142b2ca
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2015-07-02 19:09:11 +00:00
6f706543fe
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2015-03-13 22:06:20 +00:00
3ba07ca1e6
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2013-03-11 21:37:15 +00:00
ed53c9d2d5
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2012-11-07 15:59:05 +00:00
13dd457ae7
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2012-10-25 15:23:26 +00:00
e2283d1609
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2012-10-25 15:21:37 +00:00
d4215d8844
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2012-08-16 21:16:03 +00:00
7f5e8cb896
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2012-08-14 20:13:20 +00:00
9bb3b04ec4
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2012-08-13 22:27:24 +00:00
8df0f9c2e6
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2012-08-13 22:13:23 +00:00
0ea3d01f09
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2012-08-13 16:12:54 +00:00
c6878811f0
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2012-08-10 23:13:26 +00:00
4c98b2d1a9
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2012-02-06 18:19:20 +00:00
5a158918de
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2011-11-28 22:42:51 +00:00
453aba29e5
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2010-11-02 15:07:40 +00:00
