lijiext
/
lammps
mirror of https://github.com/lammps/lammps.git
1
0
Fork 1
Code Issues Packages Projects Releases Wiki Activity
16,903 Commits 9 Branches 202 Tags 1.2 GiB
Commit Graph

68 Commits

Author SHA1 Message Date
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... 
- 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 
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 
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. 
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 
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 
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. 
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