tblite_basis_type::cgto_type Type Reference

Contracted Gaussian type basis function. More...

Data Fields
integer	ang = -1
	Angular momentum of this basis function.
integer	nprim = 0
	Contraction length of this basis function.
real(wp), dimension(maxg)	alpha = 0.0_wp
	Exponent of the primitive Gaussian functions.
real(wp), dimension(maxg)	coeff = 0.0_wp
	Contraction coefficients of the primitive Gaussian functions, might contain normalization.

Detailed Description

Contracted Gaussian type basis function.

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The documentation for this type was generated from the following file:

• /home/runner/work/tblite/tblite/src/tblite/basis/type.f90