Age | Commit message (Collapse) | Author | |
---|---|---|---|
2016-01-11 | Changes to TNG to include the HRTC format.HEADmaster | Jan Huwald | |
Almost all of this code has been created by Stephan Richter <s.richter@keawe.de>. Only minor changes and this squashed commit have been prepared by Jan Huwald <jh@sotun.de>. | |||
2014-07-17 | Rewrite of file i/o. | Magnus Lundborg | |
Do not read and write data blocks in whole chunks. Read and write value by value and do the md5 summing in steps. This hopefully avoids memory alignment problems reported on ARM architectures. Fixed a bug freeing trajectory mapping memory. Change-Id: I3438b3d3faf5349dcd477a31cfb4bacf236ed582 | |||
2014-06-26 | Version 1.6 of the TNG library. | Magnus Lundborg | |
Added functions to get the version of the header and the library. Improved version control of the library using CMake config and version files. Changed tng_util_frame_current_compression_get() return type to double before the API is widely circulated (no release has been made since that function was added). Compiling compression functions into the tng_io library. Uses BuildTNG.cmake instead of including add_subdirectories. Change-Id: I5e4818736fb2632c06ca7df8e84ce9544bf2acaf | |||
2014-03-04 | Updated path to tng header files. | Magnus Lundborg | |
Change-Id: I8793ad7c3da4cc40c919167dbf3ce5a9ac3ce27e | |||
2014-02-04 | Cleaned up unused and non-portable /tmp invocations. | Rossen Apostolov | |
2013-11-27 | Removed generated include files defining dirs of example files. | Magnus Lundborg | |
2013-10-15 | Only compile openmp code if explicitly requested. | Magnus Lundborg | |
2013-10-15 | Fix some more compiler warnings | Magnus Lundborg | |
2013-10-15 | Fix compiler warnings. | Magnus Lundborg | |
2013-10-14 | Fix includes. | Magnus Lundborg | |
2013-05-24 | Improved utility functions. Bug fixes. | Magnus Lundborg | |
2013-05-23 | More work on high-level API. New example files. | Magnus Lundborg | |
Fixed many bugs in the high-level API. Use the high-level API (where appropriate) in new example files. | |||
2013-04-26 | Increase the simulation length and reduce number of particles to get more ↵ | Magnus Lundborg | |
movements in the md example | |||
2013-03-12 | Finalize last written frame set when destroying trajectory. Fix bug reading ↵ | Magnus Lundborg | |
data interval. | |||
2013-01-28 | Increase number of particles in md example. | Magnus Lundborg | |
2013-01-22 | Minor fixes in mdrun C example. Make mdrun fortran example save data ↵ | Magnus Lundborg | |
sparsely as well. | |||
2013-01-21 | Fix bugs related to sparse data. Write sparse data in md_openmp (C version). | Magnus Lundborg | |
2013-01-16 | Minor name fixes | Magnus Lundborg | |
2013-01-10 | Documentation improvements | Magnus Lundborg | |
2013-01-10 | Fix Hash updates | Magnus Lundborg | |
2013-01-10 | Fixes to make the fortran md simulation example work. | Magnus Lundborg | |
2013-01-10 | Added fortran version of md example (not working fully yet). Added an ↵ | Magnus Lundborg | |
example for getting positions from file. Minor fixes. | |||
2013-01-08 | Updated modification date | Magnus Lundborg | |
2013-01-08 | Changing parameters for MD simulation example | Magnus Lundborg | |
2013-01-08 | Automatically add frame sets if trying to write frame data beyond the last ↵ | Magnus Lundborg | |
frame set. Minor fixes. | |||
2013-01-07 | Additional example using a very light md implementation using openmp. Data ↵ | Magnus Lundborg | |
is saved during simulation. |