NEW Visualisation of TDDFT UV-VIS spectra from NWChem output files Considerably increased speed of 3D-surfaces rendering Improvements in Plot & Analyze UV-VIS spectrum Tool: Spectra diagram is now scaled automatically to fill all the window (by default). However, it is still possible to manually set height and width in the spectrum options window (Edit -> Edit spectrum options). Export line spectrum to text file (Plot -> Export calculated peaks) Export spectrum shape to text file (Plot -> Export calculated shapes). In an exported *.txt file there will be two columns. The first column corresponds to the energy values (wavelengths) (in selected units). Second is the shape-function value. If there are several calculated spectra there will be additional columns. Energy-axis in , with variable increments. You can manually set increments for supported energy units (eV, nm, cm-1, a.u.). For this go to Edit -> Edit spectrum options > Energy axis (or just double click somewhere near the bottom axis). Note: there is also "Labels antioverlap" checkbox. Checking it will prevent an overlapping of labels at energy axis. Possiblily to specify input energy unit for experimental spectrum. Fixed some bugs with scaling experimental spectrum.