qs_apt_fdiff_methods Module Reference

Atomic Polarization Tensor calculation by dF/d(E-field) finite differences. More...

Functions/Subroutines
subroutine, public	apt_fdiff (force_env)
	Calculate Atomic Polarization Tensors by dF/d(E-field) finite differences.

Detailed Description

Atomic Polarization Tensor calculation by dF/d(E-field) finite differences.

Author

Leo Decking, Hossam Elgabarty

Function/Subroutine Documentation

apt_fdiff()

subroutine, public qs_apt_fdiff_methods::apt_fdiff

(

type(force_env_type), pointer

force_env

)

Calculate Atomic Polarization Tensors by dF/d(E-field) finite differences.

Parameters

force_env

...

Author

Leo Decking, Hossam Elgabarty

Definition at line 102 of file qs_apt_fdiff_methods.F.

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