Closed jkelly1397 closed 1 year ago
Added option to sample nuclear degrees of freedom with independent, user defined standard deviations for position and momenta. Added option to sample electronic coefficients within Voronoi tessellation-like regions for use with MASH dynamics
Added option to sample nuclear degrees of freedom with independent, user defined standard deviations for position and momenta. Added option to sample electronic coefficients within Voronoi tessellation-like regions for use with MASH dynamics