Release 1.4.1

Fixed documentation.

Unless there are any major bugs, this will be considered the last release. dcdfort is considered feature complete.

Release 1.4

• Add last parameter for Trajectory read() method which indicates the last frame to read.
• Make frames_read attribute public which returns the actual number of frames saved to the Trajectory object.
• Fix typos.
• Update docs.

Release 1.3

• Save titles in dcdreader structure

Release 1.2

• Fixed dcdwriter xyz array dimensions to match dcdreader xyz dimensions
• Migrate to meson for build system
• Check compiler and version

Release 1.2 beta 1

1.2beta1

fix module install dir

Release 1.2 beta

1.2beta

complete meson migration

Release 1.1.1

• Many updates to tests
• Use of pure functions
• Check if using GNU compiler
• Get exact size of dcd file header for comparison with file size
• Add volume calculation

Release 1.1

• Faster reads from DCD files by changing dimensions of xyz array
• Faster skips using positioning
• Fixed bug in box conversion (only affected usage when box dimensions weren't equal)
• Smaller testing files
• Rewritten tests and additional tests
• Checks for native endinness when reading DCD files and swaps when necessary
• Checks for incompatible DCD files
• Don't convert back and forth from cosine of box angles from DCD file - just save these as cosines
• Use doxygen to document API
• Correct DCD file size estimates
• Fix bug where large file sizes were not detected correctly
• Add option to trajectory%read to skip beginning of file
• Add option to trajectory%read and trajectory%read_next to read in only every so many frames
• Give more information on DCD files, including starting time step, ending time step, simulation time step size
• Fancier prompt

Release 1.0

Release 1.0