Documentation for module qs_basis_gradient

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source: qs_basis_gradient.F
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public Subroutines/Functions:

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move atoms with kind float according to gradient
... returns the norm of the gradient vector, taking only floating components into account

SUBROUTINEqs_basis_center_gradient(qs_env)

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Arguments:
POINTER
:: qs_env ...

SUBROUTINEqs_update_basis_center_pos(qs_env)

move atoms with kind float according to gradient

Arguments:
POINTER
:: qs_env ...

FUNCTIONreturn_basis_center_gradient_norm(qs_env)

... returns the norm of the gradient vector, taking only floating components into account

Return Value ::
REAL(dp)
Arguments:
POINTER
:: qs_env ...