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2013-02-06Flags to indicate endianness of files. Functions to swith to little endianMagnus Lundborg
2013-02-05Change name of byte order swapping function to specify that it swaps to big ↵Magnus Lundborg
endian.
2013-02-05Improved change logMagnus Lundborg
2013-02-05Added change log to doxygenMagnus Lundborg
2013-01-30Fix bug updating MD5 hash of data blocksMagnus Lundborg
2013-01-30Fix bug reading sparse dataMagnus Lundborg
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
2013-01-28Increase number of particles in md example.Magnus Lundborg
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
2013-01-22Minor fixes in mdrun C example. Make mdrun fortran example save data ↵Magnus Lundborg
sparsely as well.
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.
2013-01-18Write annotations block in test write/read.Magnus Lundborg
2013-01-18Write partial charges in test write/readMagnus Lundborg
2013-01-18Fix bug in test read/write file (not writing frame sets). Write box shape in ↵Magnus Lundborg
test write/read file.
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
2013-01-11Fix text outputMagnus Lundborg
2013-01-11Changed if statementMagnus Lundborg
2013-01-11Fix frame indexing bugMagnus 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
2013-01-10Improved commentsMagnus Lundborg
2013-01-10Improved commentsMagnus Lundborg
2013-01-10Documentation improvementsMagnus Lundborg
2013-01-10Fix layout of example in documentationMagnus Lundborg
2013-01-10Make builds work even if no fortran compiler is foundMagnus Lundborg
2013-01-10Fix Hash updatesMagnus Lundborg
2013-01-10Fixes to make the fortran md simulation example work.Magnus Lundborg
2013-01-10Fixed errors in example file.Magnus 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.
2013-01-08Updated modification dateMagnus Lundborg
2013-01-08Changing parameters for MD simulation exampleMagnus Lundborg
2013-01-08Minor speedups by removing endianness checks before swapping byte orders.Magnus Lundborg
contact: Jan Huwald // Impressum