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2013-11-11Basic assertions added to most functions.Magnus Lundborg
2013-11-07Started to add assertions in functions.Magnus Lundborg
Fixed a bug in tng_implicit_num_particles_set().
2013-11-07Added function to set implicit number of particles.Magnus Lundborg
When there is not molecular system the number of particles can now be specified using tng_implicit_num_particles_set().
2013-11-07Correct bug in compression function. Use correct algorithm.Magnus Lundborg
2013-11-07Return FAILURE if a requested data block is not found.Magnus Lundborg
2013-11-06Added "TNG library: " to all text output.Magnus Lundborg
2013-11-06Fixed bug in pointers when reading bonds.Magnus Lundborg
2013-11-06Added new functions.Magnus Lundborg
Added tng_molecule_bond_add(), tng_molecule_id_of_particle_nr_get() and tng_global_residue_id_of_particle_nr_get()
2013-11-04Initialise variables in for loop.Magnus Lundborg
2013-11-04Changed from LGPL 2.1 license to the Revised BSD license.Magnus Lundborg
2013-11-04Let CMake check endianness for MD5. Remove GROMACS header.Magnus Lundborg
2013-11-04Added three molecules related functions.Magnus Lundborg
Added tng_molecule_cnt_list_get, tng_molsystem_bonds_get and tng_util_trajectory_molecules_get.
2013-10-30Fixed reading problems.Magnus Lundborg
2013-10-30Added utility function to get time of frame.Magnus Lundborg
2013-10-30Use BUILD_SHARED_LIBS option to decide lib type to buildMagnus Lundborg
2013-10-30Fixed mistake in documentation.Magnus Lundborg
2013-10-29Added function to get residue ID of an atom.Magnus Lundborg
2013-10-29Build libraries in lib/ directory instead of src/lib/Magnus Lundborg
2013-10-29Added install support.Magnus Lundborg
2013-10-28Added data block IDs for GMX energy data types.Magnus Lundborg
2013-10-28Layout improvements.Magnus Lundborg
2013-10-28Fix mistakes in header file.Magnus Lundborg
2013-10-28Added util functions for adding generic data with time stamp.Magnus Lundborg
2013-10-28One more function added in header.Magnus Lundborg
2013-10-28Added utility functions for writing double precision data.Magnus Lundborg
2013-10-28Added *_write_interval_set() to replace *_write_frequency_set()Magnus Lundborg
The old functions are still kept for compatibility, but should not be used.
2013-10-28Add Doxygen groups for block ID defines.Magnus Lundborg
2013-10-28Use #defines instead of enums for block IDs.Magnus Lundborg
enums are limited to int. We need LL.
2013-10-28Use typedef to name gmx data block IDs.Magnus Lundborg
2013-10-27Changed block IDs from long to long long.Magnus Lundborg
2013-10-26Fix unused variables warning.Magnus Lundborg
2013-10-25Abort data writing if the data vector is NULL.Magnus Lundborg
2013-10-25Added block ID for Gromacs Lambda data.Magnus Lundborg
This is the first program specific data block.
2013-10-25Moved variable declarations to make MSVC happy.Magnus Lundborg
2013-10-25Bump the version number.Magnus Lundborg
2013-10-25Moved (void)tng_data to the right place to make MSVC happy.Magnus Lundborg
2013-10-25Improve the tests when closing trajectory.Magnus Lundborg
Also removed a test print statement.
2013-10-25Split the fortran wrapper into another file.Magnus Lundborg
Do not keep the fortran wrapper in the main tng_io.c file.
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
2013-10-24Fixed mistake in last commit.Magnus Lundborg
2013-10-24Do not reserved included guards.Magnus Lundborg
2013-10-24Improved include directory specification.Magnus Lundborg
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
2013-10-18Set default value to length to make sure it is set.Magnus Lundborg
2013-10-18Minor fixes to descriptions.Magnus Lundborg
contact: Jan Huwald // Impressum