Atomlyze
Modules
ORCA Input Generator
ORCA Output Parser
CASTEP Input Generator
Quantum ESPRESSO Input Generator
RMSD Plot Generator
UV-Vis Spectrum Generator
UV-Vis Spectrum Generator
Upload Gaussian or ORCA TD-DFT Log Files:
Standard Deviation (in eV), default is 0.4:
Spectral Range (in nm), optional:
Plot Stick Spectrum
Display Secondary Y-axis for Oscillator Strengths
Plot Oscillator Strength Markers
Generate UV-Vis Spectrum