Axel Kohlmeyer
3eab343821
give access to LAMMPS object and wrap in macros for optional exception handling
2019-04-02 11:49:08 -04:00
Axel Kohlmeyer
fd7c680654
the lammps_gather_atom*() and lammps_scatter_atom() library functions are not compatible with -DLAMMPS_BIGBIG. divert to dummy functions resulting in error exists.
2019-04-02 11:39:46 -04:00
Eugen Rožić
b38033bc59
Fixed bug in lammps_scatter_atoms_subset...
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- ids was ignored for the single-value integer arrays (e.g. type, id, ...)
2019-02-21 01:07:46 +01:00
Axel Kohlmeyer
4ec05a3389
remove some more trailing whitespace
2018-12-01 08:14:02 -05:00
Axel Kohlmeyer
054abe280e
squash some more compiler warnings
2018-08-29 14:55:36 -04:00
Richard Berger
71bc72ec13
formatting: add additional space to avoid bad syntax highlights
2018-08-27 22:13:43 -04:00
Daniel Schwen
38a998c03c
Fix misc. warnings ( #1076 )
2018-08-24 14:58:28 -06:00
Daniel Schwen
e9bc939098
Fix more unused parameter warnings ( #1076 )
2018-08-23 12:22:44 -06:00
Richard Berger
19f81e0802
Add library functions for accessing LAMMPS configuration
2018-06-25 23:56:18 -04:00
Axel Kohlmeyer
b7210e931c
more cosmetic changes to silence pedantic warnings
2018-05-04 22:34:20 -04:00
Steve Plimpton
749f1ff407
Merge pull request #875 from akohlmey/collected-small-fixes
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Collected small changes and bug fixes for the next patch release
2018-05-03 11:28:00 -06:00
Axel Kohlmeyer
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
Axel Kohlmeyer
5bf8e1bc5b
add ability to retrieve the number of local rows for computes returning local data
...
this is done supporting the combination of type == 2 with style == 0,
i.e. a local scalar, which is not available in C++ (but there one can
access the compute style data member directly. for the python interface,
the pointer is automatically dereferenced and returned as a c_int.
2018-04-19 18:37:15 -04:00
Steve Plimpton
b571f5423a
Merge pull request #850 from lammps/addlib
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a few new lib interface methods
2018-03-27 14:39:16 -06:00
Steven J. Plimpton
d14c16a47c
a few new lib interface methods
2018-03-23 13:34:22 -06:00
Axel Kohlmeyer
8e5d3802ad
avoid possible memory leak
2018-03-16 19:11:30 -04:00
Axel Kohlmeyer
59dbb49cf9
remove trailing whitespace
2018-03-16 12:37:27 -04:00
Axel Kohlmeyer
ee862d8bf5
replace leading tabs
2018-03-16 12:34:33 -04:00
Axel Kohlmeyer
eadac15466
avoid multiple calls to delete [] on the same pointer.
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thanks to @ExHP for pointing out this issue
2018-02-28 14:02:16 +01:00
Axel Kohlmeyer
0003bb6766
merge capture regions, so the library interface code can compiled with exceptions
2018-02-23 14:20:39 +01:00
Axel Kohlmeyer
378c5071bf
protect library interface from issuing lammps commands during run and minimize
2018-02-12 14:26:05 -05:00
Richard Berger
6b2d321d18
Add missing globals in library interface
2017-09-04 19:57:02 -04:00
Axel Kohlmeyer
092806ad4f
no need for special whitespace handling in library interface
2017-05-30 07:55:48 -04:00
Axel Kohlmeyer
4ae314731d
must not use strtok() in library function as it is not re-entrant and may be used inside LAMMPS commands
2017-05-30 07:42:10 -04:00
Axel Kohlmeyer
443ea13eff
add image flag packing/unpacking to library/python interface
2017-03-28 02:05:05 -04:00
Steve Plimpton
44841f6891
fix ave/chunk fixes, 2d disc option, fix_modify dynamic/dof
2017-03-23 15:31:27 -06:00
Richard Berger
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
David M. Rogers
65964f3b31
Add error check to lammps_gather_atoms/lammps_scatter_atoms in library.cpp
2017-03-09 16:49:07 -05:00
Richard Berger
3a054d1a82
Fix more typos in src files
2017-03-07 00:55:01 -05:00
Dan Ibanez
3d40b51708
remove unused variable
2017-01-25 15:24:52 -07:00
Steve Plimpton
ae5764beac
added functionity to lib interface
2016-12-13 16:22:17 -07:00
Steve Plimpton
d9891abdf4
new library functions
2016-10-27 09:34:04 -06:00
sjplimp
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
sjplimp
fab2f01a58
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15531 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-08-31 22:20:28 +00:00
sjplimp
2f936d5e56
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15357 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-07-22 22:57:39 +00:00
sjplimp
87a6c1368f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15356 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-07-22 22:56:08 +00:00
sjplimp
f70a764d5c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14860 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-04-22 15:55:54 +00:00
sjplimp
490b26ed06
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14630 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-02-15 22:27:37 +00:00
sjplimp
f86a9f4283
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14515 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-28 21:24:58 +00:00
sjplimp
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
sjplimp
354e20f431
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
sjplimp
047be536bc
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13983 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-09-02 20:39:55 +00:00
sjplimp
46fd9013a5
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13235 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-03-17 16:01:48 +00:00
sjplimp
f14e5cdce6
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12714 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-11-18 00:15:46 +00:00
pscrozi
20ddf0396d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12192 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-07-22 18:28:46 +00:00
sjplimp
6da7b2f37c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12005 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-20 16:27:35 +00:00
sjplimp
bad19033d0
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11250 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-01-17 18:43:09 +00:00
sjplimp
961be6ee48
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11249 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-01-17 16:53:37 +00:00
pscrozi
30489de0ef
Fixed type-O.
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8774 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-09-11 18:27:50 +00:00
sjplimp
f06d06671f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8764 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-09-11 14:15:54 +00:00