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path: root/src/lib/tng_io.c
AgeCommit message (Collapse)Author
2013-10-25Check that writing frequency is OK before setting it.Magnus Lundborg
In the high-level API return TNG_FAILURE if the specified writing frequency is <= 0. Also give an error message. In the low-level API this is silently fixed by setting it to at least 1. Fixes #1366.
2013-10-25Check that tng_trajectory_t is not NULL.Magnus Lundborg
All publically exposed functions check that the trajectory container is not empty before starting to do anything. Fixes #1363
2013-10-22Changed path for generated header files.Magnus Lundborg
Always generate header files (to avoid cppcheck errors). Fixed cppcheck error py using ++ prefix instead of suffix.
2013-10-21Fixed some more warnings.Magnus Lundborg
2013-10-21Fixed compiler warnings and linking errors in MSVC.Magnus Lundborg
Changed tabs to spaces in tng_compression functions.
2013-10-18Fixed a few more compiler warnings.Magnus Lundborg
2013-10-18Fix some compiler warnings.Magnus Lundborg
2013-10-18Fix double free if TNG compression fails.Magnus Lundborg
2013-10-18Fix potential memory leak. Remove unused assignment.Magnus Lundborg
2013-10-18Set variables to 0 after freed memory in more places.Magnus Lundborg
2013-10-17Use unsigned long instead of uLong.Magnus Lundborg
Also fixed other warnings. tng_compress does not take len as input argument anymore.
2013-10-17Do not use molecule pointer when allocing for bonds.Magnus Lundborg
2013-10-17More fail safe memory reservation in compression routines.Magnus Lundborg
If compression fails redo the whole data block assignment since some values need to be removed if not using compression. It is better if it takes a little bit longer, but gets right.
2013-10-16Temporary print for bug tracking.Magnus Lundborg
2013-10-16Avoid uninitialized multiplier.Magnus Lundborg
2013-10-16Moved stat declaration to ifdef to avoid warning.Magnus Lundborg
2013-10-16If compression fails try to continue with uncompressed block.Magnus Lundborg
2013-10-16Use the right tng_min/_max functions.Magnus Lundborg
Remove unused static functions.
2013-10-15Specifically typed min and max functions.Magnus Lundborg
Explicitly compare signed and unsigned in many places to avoid warnings.
2013-10-15Changed signature of tng_util_*_with_time_write to use double.Magnus Lundborg
Minor fixes.
2013-10-15Change char to unsigned char to do proper comparisons.Magnus Lundborg
Added temporary print statement to debug failed test case.
2013-10-15Replace uint8_t with char.Magnus Lundborg
2013-10-15Fix some more compiler warningsMagnus Lundborg
2013-10-15Fix some MSVC and Inter C Compiler warnings.Magnus Lundborg
2013-10-14Fix compiler warnings.Magnus Lundborg
2013-10-14Change CMake parameter names to specifically include TNG.Magnus Lundborg
2013-10-11Fix errors reading frames if frame set was already read.Magnus Lundborg
If the current frame set was the last in the file and it had already been read it would try to re-read the data past the end of the file.
2013-10-11Fixing many llvm clang warnings.Magnus Lundborg
2013-10-09Fix memory issues.Magnus Lundborg
2013-10-09Fix build issues.Magnus Lundborg
2013-10-09Fixing many compiler warnings.Magnus Lundborg
2013-10-08Fixing bugs reading data.Magnus Lundborg
Also make compression slightly faster.
2013-10-04Fixing bugs reading and writing data.Magnus Lundborg
2013-10-03Fixed bug when writing float data.Magnus Lundborg
2013-09-26Set default frame set size when setting stride len.Magnus Lundborg
By befault adapt the frame set to 100*stride length in util functions.
2013-09-03Release 1.4Magnus Lundborg
MAJOR: Changed block ID numbers Fix bug when determining endianness. Added alt_hash and signature to block header (not read or written yet)
2013-08-22Added tng_molecule_find_ to Fortran APIMagnus Lundborg
2013-08-22Added tng_molecule_find for finding a moleculeMagnus Lundborg
2013-08-20Use char instead of enum to avoid endianness problemsMagnus Lundborg
2013-06-24Added time_per_frame to frame set block.Magnus Lundborg
The time step per frame is written in each frame set. If the time step per frame changes the current frame set is written to disk before changing the step size.
2013-06-20Temporarily(?) removed two unused functions.Magnus Lundborg
2013-06-20Added fortran functions for distance units.Magnus Lundborg
2013-06-20Added exponential of distance unit.Magnus Lundborg
New data added to the general information block to specify the unit of distances in the trajectory, e.g. -9 for nm or -10 for Å.
2013-06-20Added util functions to fortran layer.Magnus Lundborg
Utility functions added to the fortran API. Fixed warning in printf format.
2013-06-19Fixed bug writing non-frame-dependent data.Magnus Lundborg
The length of the data block was not properly calculated.
2013-06-19Added time stamp to frame set.Magnus Lundborg
Time of first frame in a frame set can be set.
2013-06-13Fixed bugs related to compression. Fixed warnings.Magnus Lundborg
2013-06-13Improved compression.Magnus Lundborg
GZIP compress box shape. TNG compression precision to 0.001.
2013-06-13(Re)change names of tng_md5_* to md5_*Magnus Lundborg
In order to make it work with existing md5 include files custom names should not be used.
2013-06-05Added functions to set ID when adding molecular data.Magnus Lundborg
When creating molecules, chains, residues and atoms it is now possible to specify the IDs. Raised the version number to 1.1.
contact: Jan Huwald // Impressum