4ec05a3389
remove some more trailing whitespace
2018-12-01 08:14:02 -05:00
054abe280e
squash some more compiler warnings
2018-08-29 14:55:36 -04:00
71bc72ec13
formatting: add additional space to avoid bad syntax highlights
2018-08-27 22:13:43 -04:00
38a998c03c
Fix misc. warnings ( #1076 )
2018-08-24 14:58:28 -06:00
e9bc939098
Fix more unused parameter warnings ( #1076 )
2018-08-23 12:22:44 -06:00
19f81e0802
Add library functions for accessing LAMMPS configuration
2018-06-25 23:56:18 -04:00
b7210e931c
more cosmetic changes to silence pedantic warnings
2018-05-04 22:34:20 -04:00
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
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
5bf8e1bc5b
add ability to retrieve the number of local rows for computes returning local data
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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
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
d14c16a47c
a few new lib interface methods
2018-03-23 13:34:22 -06:00
8e5d3802ad
avoid possible memory leak
2018-03-16 19:11:30 -04:00
59dbb49cf9
remove trailing whitespace
2018-03-16 12:37:27 -04:00
ee862d8bf5
replace leading tabs
2018-03-16 12:34:33 -04:00
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
0003bb6766
merge capture regions, so the library interface code can compiled with exceptions
2018-02-23 14:20:39 +01:00
378c5071bf
protect library interface from issuing lammps commands during run and minimize
2018-02-12 14:26:05 -05:00
6b2d321d18
Add missing globals in library interface
2017-09-04 19:57:02 -04:00
092806ad4f
no need for special whitespace handling in library interface
2017-05-30 07:55:48 -04:00
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
443ea13eff
add image flag packing/unpacking to library/python interface
2017-03-28 02:05:05 -04:00
44841f6891
fix ave/chunk fixes, 2d disc option, fix_modify dynamic/dof
2017-03-23 15:31:27 -06:00
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
65964f3b31
Add error check to lammps_gather_atoms/lammps_scatter_atoms in library.cpp
2017-03-09 16:49:07 -05:00
3a054d1a82
Fix more typos in src files
2017-03-07 00:55:01 -05:00
3d40b51708
remove unused variable
2017-01-25 15:24:52 -07:00
ae5764beac
added functionity to lib interface
2016-12-13 16:22:17 -07:00
d9891abdf4
new library functions
2016-10-27 09:34:04 -06:00
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
8af673c69d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8671 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-08-15 14:43:41 +00:00
7f5e8cb896
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8656 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-08-14 20:13:20 +00:00
21e03d8e5c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8627 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-08-13 21:42:40 +00:00
