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path: root/src/tests
AgeCommit message (Collapse)Author
2013-01-28Increase number of particles in md example.Magnus 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.
2013-01-21Fix bugs related to sparse data. Write sparse data in md_openmp (C version).Magnus Lundborg
2013-01-21Include licence info.Magnus Lundborg
2013-01-18Write 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
2013-01-14Added 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.
2013-01-11Fix 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.
2013-01-10Improved commentsMagnus Lundborg
2013-01-10Improved commentsMagnus Lundborg
2013-01-10Documentation improvementsMagnus 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
2013-01-10Added 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
2013-01-08Automatically 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.
2013-01-07Removed unused variableMagnus Lundborg
2013-01-07Removed input and output file positions from tng_trajectory struct.Magnus Lundborg
2012-12-26Improved comments in the testing code.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
2012-12-19Get 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.
2012-12-14Fix bug in particle data retrieval. Some speedups.Magnus Lundborg
2012-12-14Copy example files to build directory and set constants to find themMagnus Lundborg
2012-12-13Add, read and write particle mapping should work now.Magnus Lundborg
2012-12-12Make medium and long stride lengths update properly.Magnus Lundborg
2012-12-11Documentation improvements, minor fixes.Magnus Lundborg
2012-12-10Fixing data retrieval (now allocating memory and returning a copy again) and ↵Magnus Lundborg
adding memory freeing functions.
2012-12-10Rewrite of data retrieval functions - do not return a copy, point to ↵Magnus Lundborg
original data.
2012-12-10Fix bugs in data retrieval functions.Magnus Lundborg
2012-12-07Fixes to make get particle data work and added code to test it.Magnus Lundborg
2012-12-06Renamed one more API functionMagnus Lundborg
2012-12-06Renamed API functionsMagnus Lundborg
2012-12-04Remove flag to close file after reading and writing.Magnus Lundborg
2012-12-04Changed output file name when writing test fileMagnus Lundborg
contact: Jan Huwald // Impressum