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spin-density

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ts-quantum / BatchMol

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BatchMol processes molden sequences into consistent reaction trajectories for MO, ESP, and Spin Mapping. It integrates with MolAlign to synchronize fragmented IRC segments into seamless inputs. It bridges QC and rendering by exporting ready-to-use POV-Ray (.inc) and Blender files for cinematic animations.

irc blender esp povray nwchem quantum-chemistry orca trajectory-analysis psi4 electrostatic-potential molecular-orbitals spin-density
  • Updated Apr 12, 2026
  • Python

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