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AgeCommit message (Expand)Author
2013-05-24Improved utility functions. Bug fixes.Magnus Lundborg
2013-05-23More work on high-level API. New example files.Magnus Lundborg
2013-05-22New functions added (mainly utility functions).Magnus Lundborg
2013-05-22Added building options and bin subdirectoriesMagnus Lundborg
2013-05-17Fix errors introduced when doing if(UNIX) in CMakeLists.txtDaniel Spangberg
2013-05-17Only add math library on UNIX. Copy .sh files on UNIX. Copy .bat files on win...Daniel Spangberg
2013-05-17Updated number of tests in test suite scripts for tng compress.Daniel Spangberg
2013-05-17Added conversion from unpacked integers to float/double.Daniel Spangberg
2013-05-16Several changes to get the compression testsuite working for recompression te...Daniel Spangberg
2013-05-16Properly compile the tng_compress testsuite using cmake.Daniel Spangberg
2013-05-16Moved include file template from src to include.Magnus Lundborg
2013-05-15Fix linking with math libraryDaniel Spangberg
2013-05-15fix testsuite.sh script.Daniel Spangberg
2013-05-15Also add the modified cmakefiles.Daniel Spangberg
2013-05-15Added tng_compress trajectory compression algorithmsDaniel Spangberg
2013-04-26Increase the simulation length and reduce number of particles to get more mov...Magnus Lundborg
2013-04-18Add tng_num_frames_get() to get the number of frames in the trajectory. Added...Magnus Lundborg
2013-03-19If inttypes is not found (Visual Studio) some typedefs and defines need to be...Magnus Lundborg
2013-03-13Add gzip compression and uncompression to master branch.Magnus Lundborg
2013-03-12Finalize last written frame set when destroying trajectory. Fix bug reading d...Magnus Lundborg
2013-02-11Remove omp header stubsMagnus Lundborg
2013-02-08Add a standard block ID for partial charges.Magnus Lundborg
2013-01-30Fix bug in chain_name_of_particle_getMagnus Lundborg
2013-01-28Increase number of particles in md example.Magnus Lundborg
2013-01-24Fix copyright notice. In practice reverting commit 75505b10abc097c123c427b5df...Magnus Lundborg
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 sparsely...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
2013-01-18Write 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
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
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 par...Magnus Lundborg
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 example...Magnus Lundborg
2013-01-08Updated modification dateMagnus Lundborg
contact: Jan Huwald // Impressum