Documentation for module ct_methods

Cayley transformation methods

source: ct_methods.F
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public Subroutines/Functions:

SUBROUTINE
analytic_line_search (a, b, c, d, minima, nmins)
Finds real roots of a cubic equation > a*x**3 + b*x**2 + c*x + d = 0 and returns only those roots for which the derivative is positive
Performs Cayley transformation
Diagonalizes diagonal blocks of a symmetric dbcsr matrix and returs its eigenvectors

SUBROUTINEct_step_execute(cts_env)

Performs Cayley transformation

Arguments:
:: cts_env ...

SUBROUTINEdiagonalize_diagonal_blocks(matrix, c, e)

Diagonalizes diagonal blocks of a symmetric dbcsr matrix and returs its eigenvectors

Arguments:
TYPE(dbcsr_type),
INTENT(in)
:: matrix ...
TYPE(dbcsr_type),
INTENT(out)
:: c ...
TYPE(dbcsr_type),
INTENT(out),
OPTIONAL
:: e ...