SCIGRESS FQ 3.4.4 release notes:
- Interface to Quantum ESPRESSO.
- Interface to AmberTools (Antechamber).
- Raman Transitions.
- New Spreadsheet properties:
- Bicerano Refractive Index,
- Polymer density.
- Implemented massive import of non-CSF samples.
- Improved display performance of large systems: displayed as wireframe.
- Implemented extracting of bond order and improved extracting of partial charges from GAMESS output.
- Implemented possibility of editing input file before starting the calculations for Quantum ESPRESSO, LAMMPS and GAMESS.
- Implemented saving a movie for molecular animation and IR vibration.
- Implemented adjusting the position of atoms and groups numerically.
- Improved SCIGRESS licensing mechanism.
- Bugfixing.