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2013-12-12Corrected the name of tng_distance_unit_exponential_set()Magnus Lundborg
2013-12-05Added function tng_util_prepare_append_after_frame()Magnus Lundborg
2013-12-05New function for reading frame set, including particle mapping and data blocks.Magnus Lundborg
2013-12-04Use a char parameter to set if num particles is variable.Magnus Lundborg
2013-12-04Do not require pointer to NULL.Magnus Lundborg
2013-12-03Bug fix.Magnus Lundborg
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
2013-12-02More fixes to getter functions.Magnus Lundborg
2013-12-02Fixes to getter functions.Magnus Lundborg
2013-12-02Many getter for molecules added.Magnus Lundborg
2013-11-29Added tng_data_block_name_get(). Inverted compression precision.Magnus Lundborg
More elegant handling of reading past the last frame when reading next frame.
2013-11-29Added 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().
2013-11-29Added 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.
2013-11-27Improved description of tng_compression_precision_get()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
2013-11-26Modified 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
2013-11-25Improved documentation slightly.Magnus Lundborg
2013-11-20Updated docs for util functions for reading box shape.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!
2013-11-15Fixed typo.Magnus Lundborg
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
2013-11-15Added function for reading first frame of next frame set.Magnus Lundborg
Better file position management when reading next/last frame set info. Temporary debug statements.
2013-11-15Compression precision can be set. Improved new frame set settings.Magnus Lundborg
Two functions for getting and setting precision of lossy compression. Functions automatically creating new frame sets when needed now have better frame settings.
2013-11-14Disabled tng_util_trajectory_molecule_add() again.Magnus Lundborg
More fixes to tng_implicit_num_particles_set().
2013-11-14Fixed tng_molecule_cnt_list_get() and modified tng_implicit_num_particles_set().Magnus Lundborg
tng_molecule_list_get() had wrong input parameters. It could not return the list. tng_implicit_num_particles_set() now creates a TNG_IMPLICIT_MOL molecule and sets the count to make up for the missing particles. Otherwise the file cannot be properly opened afterwards.
2013-11-12More modifications to tng_util_trajectory_molecules_get()Magnus Lundborg
2013-11-12Modified tng_util_trajectory_molecules_get() input.Magnus Lundborg
tng_util_trajectory_molecules_get() was not used outside the API yet. Also fixed compiler warnings.
2013-11-11Added info about assertions in the docs.Magnus Lundborg
Some more assertions added.
2013-11-11Basic assertions added to most functions.Magnus Lundborg
2013-11-07Started to add assertions in functions.Magnus Lundborg
Fixed a bug in tng_implicit_num_particles_set().
2013-11-07Added function to set implicit number of particles.Magnus Lundborg
When there is not molecular system the number of particles can now be specified using tng_implicit_num_particles_set().
2013-11-07Return FAILURE if a requested data block is not found.Magnus Lundborg
2013-11-06Added new functions.Magnus Lundborg
Added tng_molecule_bond_add(), tng_molecule_id_of_particle_nr_get() and tng_global_residue_id_of_particle_nr_get()
2013-11-04Changed from LGPL 2.1 license to the Revised BSD license.Magnus Lundborg
contact: Jan Huwald // Impressum