Age | Commit message (Collapse) | Author | |
---|---|---|---|
2013-05-28 | Fixed error where velocities were trashed. | Magnus Lundborg | |
Added utility functions for setting box shape (not finished or tested). | |||
2013-05-24 | Improved utility functions. Bug fixes. | Magnus Lundborg | |
2013-05-23 | More work on high-level API. New example files. | Magnus Lundborg | |
Fixed many bugs in the high-level API. Use the high-level API (where appropriate) in new example files. | |||
2013-05-22 | New functions added (mainly utility functions). | Magnus Lundborg | |
New functions to simplify the work flow added. Not everything is fully tested yet. More commits to follow. | |||
2013-05-20 | Merge branch 'master' of git.gromacs.org:tng | Magnus Lundborg | |
Merged conflicts. Conflicts: src/lib/tng_io.c | |||
2013-05-18 | Changes to allow compilation on windows with msvc. Bugfixes. | Daniel Spangberg | |
2013-05-17 | Added utility functions (unfinished), major changes. | Magnus Lundborg | |
High-level API functions (utility functions) added, but are not finished or tested yet. Store data in 1D arrays instead of ND. Use separate strings arrays. Various bug fixes. | |||
2013-05-13 | Updated header documentation | Magnus Lundborg | |
The revisions history and the code example in the header was updated. | |||
2013-05-02 | Added function tng_num_frames_per_frame_set_set | Magnus Lundborg | |
2013-04-26 | Fix bug in constants definition. | Magnus Lundborg | |
2013-04-18 | Fix names of constants in last commit. | Magnus Lundborg | |
2013-04-18 | Add data block IDs for formal charges, b-factors and occupancy. | Magnus Lundborg | |
2013-04-18 | Add tng_num_frames_get() to get the number of frames in the trajectory. ↵ | Magnus Lundborg | |
Added to reading example as well. | |||
2013-03-25 | Only use __extension__ from GNU compilers | Magnus Lundborg | |
2013-03-21 | Only compile Fortran compatibility if requested. Fix error in commit b97f4dff | Magnus Lundborg | |
2013-03-20 | Add check that stride_length > 0. Fix bugs in allocating memory for atoms. | Magnus Lundborg | |
2013-03-19 | If inttypes is not found (Visual Studio) some typedefs and defines need to ↵ | Magnus Lundborg | |
be done | |||
2013-03-13 | Add gzip compression and uncompression to master branch. | Magnus Lundborg | |
2013-03-06 | Use residue number when searching for a residue in a chain. | Magnus Lundborg | |
2013-03-06 | Added function tng_chain_residue_find to the API | Magnus Lundborg | |
2013-02-28 | Added function tng_molecule_chain_find to the API. | Magnus Lundborg | |
2013-02-20 | Changed min() and max() to tng_min() and tng_max() | Magnus Lundborg | |
2013-02-20 | Changed TRUE and FALSE to TNG_TRUE and TNG_FALSE | Magnus Lundborg | |
2013-02-19 | Moved header files to an include directory. | Magnus Lundborg | |