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2013-12-03Use correct integer.Magnus Lundborg
2013-12-03Added function tng_data_block_num_values_per_frame_get()Magnus Lundborg
2013-12-03Added function tng_data_block_dependency_get()Magnus Lundborg
2013-12-03Renamed two functions before public usage. POTENTIAL RISK!Magnus Lundborg
Renamed tng_util_next_frame_present_data_blocks_find() to tng_util_trajectory_next_frame_present_data_blocks_find() and tng_util_compression_current_frame_get() to tng_util_frame_current_compression_get()
2013-12-03Changed behaviour of tng_util_next_frame_present_data_blocks_find()Magnus Lundborg
Improved memory allocation for data_block_ids_in_next_frame
2013-12-02Final fixes to molecule getter functions?Magnus Lundborg
2013-12-02More fixes to molecule getters.Magnus Lundborg
2013-12-02More fixes to molecule getter functions.Magnus Lundborg
2013-12-02Fix to tng_residue_atoms_get()Magnus Lundborg
2013-12-02More fixes to getter functions.Magnus Lundborg
2013-12-02Fixes to getter functions.Magnus Lundborg
2013-12-02Many getter for molecules added.Magnus Lundborg
2013-12-02Fix possibly unassigned variables warning.Magnus Lundborg
2013-11-29Added tng_data_block_name_get(). Inverted compression precision.Magnus Lundborg
More elegant handling of reading past the last frame when reading next frame.
2013-11-29Fix in tng_util_generic_double_write()Magnus Lundborg
2013-11-29Added tng_util_next_frame_present_data_blocks_find()Magnus Lundborg
Changed from tng_util_compression_next_frame_get() to tng_util_compression_current_frame_get().
2013-11-29Improved *_next_frame_read()Magnus Lundborg
2013-11-29Proper float comparison in tng_time_per_frame_set()Magnus Lundborg
2013-11-29Minor fix for reading sparse data.Magnus Lundborg
2013-11-29Added tng_util_compression_next_frame_get(). Fixed compression.Magnus Lundborg
If compressing one frame using TNG-MF1 when the default number of frames per frame set is higher always try to find the best compression algorithm and do not store it. Otherwise there might be attempts to use incompatible compressions algorithms.
2013-11-29Improved tests and removed some parts of tests.Magnus Lundborg
2013-11-29Make all testing code define USE_STD_INTTYPES_H to print properly.Magnus Lundborg
2013-11-28Fixes.Magnus Lundborg
2013-11-28Some fixes for indicating what is the first frame of a data block.Magnus Lundborg
2013-11-28Another minor fix.Magnus Lundborg
2013-11-28Final fixing of mol system copying?Magnus Lundborg
2013-11-28More bug fixing when copying molecules.Magnus Lundborg
2013-11-28Fixing bug when copying molecules.Magnus Lundborg
2013-11-28Use compression_multiplier to specify the precision of compressionMagnus Lundborg
Do not actually multiply TNG compressed values (done by the TNG compression automatically) or GZIP compressed values (no multiplier required). Bug fixes.
2013-11-27Improved prematurely finished frame sets.Magnus Lundborg
2013-11-27Removed generated include files defining dirs of example files.Magnus Lundborg
2013-11-27Fixed opening files for appending (might still not be perfect).Magnus Lundborg
Flush file when writing trajectory frame set.
2013-11-26Added tng_molecule_system_copy()Magnus Lundborg
2013-11-26Write current frame set if time per frame is changed.Magnus Lundborg
Other minor fixes.
2013-11-26Modified tng_molecule_existing_add()Magnus Lundborg
2013-11-26Function tng_molecule_atom_find() added.Magnus Lundborg
2013-11-26Added functions tng_molecule_alloc() and tng_molecule_free()Magnus Lundborg
2013-11-26Added function tng_molecule_existing_add()Magnus Lundborg
2013-11-20More compiler warnings fixed.Magnus Lundborg
2013-11-20Fixed compiler warnings.Magnus Lundborg
2013-11-20Return TNG_SUCCESS when finished.Magnus Lundborg
2013-11-20Added function tng_data_get_stride_length()Magnus Lundborg
Retrieves the stride length of a data block.
2013-11-20Added function to read only data from specific block ID from current frame set.Magnus Lundborg
Fixed a lot of bugs regarding reading next frame one at a time.
2013-11-19Added read next frame functionality.Magnus Lundborg
Also avoided reading all data blocks when reading a frame set, it's now possible to read only a certain block. This could cause unforeseen problems. Keep an eye on this!
2013-11-19Fail more elegantly if there are no particles when setting stride length.Magnus Lundborg
In that case do not reserve memory either.
2013-11-15Added tng_num_molecule_types_get()Magnus Lundborg
2013-11-15Added tng_molecule_of_index_get()Magnus Lundborg
2013-11-15Bug fix in tng_util_trajectory_molecules_getMagnus Lundborg
2013-11-15Fix frame_set_of_frame_find()Magnus Lundborg
Make the function work even if there are gaps between frame sets.
2013-11-15Removed debug statement.Magnus Lundborg
contact: Jan Huwald // Impressum