STRFACT

 

LATEST FEATURES AND BUG FIXES:

 

** VERSION 1.3.1 **

(11 January 2024)

News

• Solved a problem related to the compilation of the libxdrf library, due to a support change in the more recent OSs (e.g., Debian-based operating systems).

 

 

** VERSION 1.2.0 **

(09 June 2021)

New Features

• Support for atomic species from hydrogen to californium.
• Improved compatibility with GROMACS input files.
• Improved compatibility with LAMMPS trajectory files.
• Improved IO.
• Support for macOS Big Sur.
• Several other tweaks and optimizations.

Bug Fixes

• Memory leak problem corrected.
• Solved problem related to the use of triclinic simulation boxes with GROMACS.
• Other Minor corrections.

 

 

** VERSION 1.1.0 **

(19 September 2017)

New Features

• Ability to read trajectory files from GROMACS and LAMMPS.
• New procedures to convert radial distribution functions into partial scattering factors.
• Introduction of a user manual.
• New calculation status report.
• Restart option.
• Several other tweaks and optimizations.

Bug Fixes

• Minor corrections.

 

 

** VERSION 1.0.1 **

(30 September 2015)

New Features

• Ability to read CHARMM output files (*.dcd and *.psf);

Bug Fixes

• Minor format corrections.