In sillico photochemistry group
Basile F. E. Curchod's Research Group on Nonadiabatic Dynamics
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- QuantumModelLib Public Forked from lauvergn/QuantumModelLib
This module enables to use potentials extracted from the literature. It has the following features: * One or several degrees of freedom * One or several electronic states * For each electronic state, the energy, gradient and hessian can be obtained in the diabatic or adiabatic representations
ispg-group/QuantumModelLib’s past year of commit activity - PyNEAppLES Public Forked from stepan-srsen/PyNEAppLES
Tools for performing electronic spectra simulations using the nuclear ensemble approach/method (NEA/NEM).
ispg-group/PyNEAppLES’s past year of commit activity - bagel Public Forked from qsimulate-open/bagel
Brilliantly Advanced General Electronic-structure Library
ispg-group/bagel’s past year of commit activity
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