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2013-01-30Fix bug in chain_name_of_particle_getMagnus Lundborg
2013-01-28Update first trajectory frame set (if needed) when writing frame setMagnus Lundborg
Conflicts: src/lib/tng_io.c
2013-01-25Move fortran wrapper from header to src fileMagnus Lundborg
2013-01-24Fix copyright notice. In practice reverting commit ↵Magnus Lundborg
75505b10abc097c123c427b5df553839383bf0d1
2013-01-23Minor updates in copyright notice. Fixes in documentation index page.Magnus Lundborg
2013-01-23Updated copyright notice.Magnus Lundborg
2013-01-22Bug fix (file pos wrong when writing sparse frame data).Magnus Lundborg
2013-01-22Remove a flush used for finding an earlier bug.Magnus Lundborg
2013-01-21Fix bugs related to sparse data. Write sparse data in md_openmp (C version).Magnus Lundborg
2013-01-21Include licence info.Magnus Lundborg
2013-01-18Fixed dependency flags. Fixed data block output. Fixed memory freeing for ↵Magnus Lundborg
non-trajectory particle data blocks.
2013-01-16Minor name fixesMagnus Lundborg
2013-01-15Fixed bug in tng_current_frame_set_get. Improved parallel reading example.Magnus Lundborg
2013-01-15Test parallel i/o (not very quick atm).Magnus Lundborg
2013-01-15Changed name of tng_frame_set_find to tng_frame_set_of_frame_find. Added ↵Magnus Lundborg
tng_frame_set_nr_find and tng_num_frame_sets_get.
2013-01-14Minor code cleanups.Magnus Lundborg
2013-01-14Documented last static functions.Magnus Lundborg
2013-01-14Added functions to get residue and chain names from atom number.Magnus Lundborg
2013-01-14Added functions to get atom names and molecule names from atom number. Fixed ↵Magnus Lundborg
minor bugs. Fixed compiler warnings.
2013-01-11Documentation for almost all static functions fixed.Magnus Lundborg
2013-01-11Fix documentation to better reflect possible return values. Minor fixes.Magnus Lundborg
2013-01-11Adding string getter functionsMagnus Lundborg
2013-01-11Added comments to static functions. Minor comments. Changed some function ↵Magnus Lundborg
parameters to be more consequent.
2013-01-10Fix bug writing particle data block.Magnus Lundborg
2013-01-10Documentation improvementsMagnus Lundborg
2013-01-10Fix layout of example in documentationMagnus Lundborg
2013-01-10Fix Hash updatesMagnus Lundborg
2013-01-10Added fortran version of md example (not working fully yet). Added an ↵Magnus Lundborg
example for getting positions from file. Minor fixes.
2013-01-08Minor speedups by removing endianness checks before swapping byte orders.Magnus Lundborg
2013-01-08Automatically add frame sets if trying to write frame data beyond the last ↵Magnus Lundborg
frame set. Minor fixes.
2013-01-07Additional example using a very light md implementation using openmp. Data ↵Magnus Lundborg
is saved during simulation.
2013-01-07Swap byte order (if necessary) when writing dataMagnus Lundborg
2013-01-07Added missing documentation of parameters.Magnus Lundborg
2013-01-07Removed irrelevant comment.Magnus Lundborg
2013-01-07Removed input and output file positions from tng_trajectory struct.Magnus Lundborg
2012-12-26Specify hash mode as function argument in data interval retrieval functions.Magnus Lundborg
2012-12-21Make data writing work for one frame at a time. Other minor fixes.Magnus Lundborg
2012-12-20Experimental fortran support in headerMagnus Lundborg
2012-12-20Removed frame set table of contents blockMagnus Lundborg
2012-12-20Functions for writing one frame of data at a time. N.B. Still not testedMagnus Lundborg
2012-12-19Removed two unimplemented functions from the API (reading and writing frame ↵Magnus Lundborg
ranges).
2012-12-19Get non-particle data from frame range.Magnus Lundborg
2012-12-19Documentation fix. Made some function parameters const.Magnus Lundborg
2012-12-19Get particle data from frame range.Magnus Lundborg
2012-12-19Major changes. Do more memory managements in the API. Changes in some ↵Magnus Lundborg
function arguments.
2012-12-17Remove malloc return type casting. Minor fixesMagnus Lundborg
2012-12-17Removed tng_frame_set_read_nrMagnus Lundborg
2012-12-17Removed tng_traj_block_read and _writeMagnus Lundborg
2012-12-17Improved static function namesMagnus Lundborg
2012-12-14Fix bug in particle data retrieval. Some speedups.Magnus Lundborg
contact: Jan Huwald // Impressum