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What's new in PyVib2 1.1
* Added initial support for plotting of experimental Raman/ROA and
Degree of circularity spectra with possibilities to :
- combine several single measurements;
- smooth the curves with the Savitzky-Golay filter (symmetric window);
- normalize the Raman and ROA spectra to the laser energy.
* Results of calculations of Raman and IR can be opened. The lacking ROA and
VCD tensors are filled with zeros.
* Changes in the Raman/ROA generation interface :
- the cross-sections themselves will be represented rather than
the combinations of the correspondent invariants;
- added a check button to the first tab for inverting the sign of ROA.
* Raman/ROA intensities are shown in the message bar if the mouse is
moving over the spectra.
* Inverting the sign of ROA spectra is available on the ROA tab of a
spectra settings dialog.
* The units of Raman/ROA spectra in the curve representations are changed
from A**2 / sr / cm**(-1) to A**2 cm / sr.
* Added an informational message detailing how to deal if the utilities for
creation of animations of vibrations are missing.
* Added a snapshot button to :
- window for exploring a single vibration;
- window for exploring two vibrations;
- ACP tab of the Raman/ROA generation interface.
* Atom labels are rendered from now on in the dialog for customizing of the
isotope composition of a molecule.
* The function for searching if a command on PATH is reimplemented.
It does not require anymore an external call of the which command.
* Added export to Gaussian input files.
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