Documentation for module qs_tddfpt_utils

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source: qs_tddfpt_utils.F
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public Subroutines/Functions:

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SUBROUTINE
normalize (x, tmp_vec, metric)
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SUBROUTINE
reorthogonalize (x, v_set, sv_set, work, n)
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SUBROUTINE
tddfpt_cleanup (t_env, p_env)
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SUBROUTINE
tddfpt_init (p_env, t_env, qs_env)
Initialize some necessary structures for a tddfpt calculation.

SUBROUTINEco_initial_guess(matrices, energies, n_v, qs_env)

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Arguments:
POINTER
:: matrices(:,:) ...
REAL(dp),
INTENT(out)
:: energies(:) ...
INTEGER,
INTENT(in)
:: n_v ...
POINTER
:: qs_env ...

SUBROUTINEfind_contributions(qs_env, t_env)

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Arguments:
POINTER
:: qs_env ...
INTENT(in)
:: t_env ...

SUBROUTINEnormalize(x, tmp_vec, metric)

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Arguments:
:: x(:) ...
:: tmp_vec(:) ...
POINTER
:: metric(:) ...

SUBROUTINEreorthogonalize(x, v_set, sv_set, work, n)

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Arguments:
:: x(:) ...
:: v_set(:,:) ...
:: sv_set(:,:) ...
:: work(:) ...
INTEGER,
INTENT(in)
:: n ...

SUBROUTINEtddfpt_cleanup(t_env, p_env)

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Arguments:
INTENT(inout)
:: t_env ...
POINTER
:: p_env ...

SUBROUTINEtddfpt_init(p_env, t_env, qs_env)

Initialize some necessary structures for a tddfpt calculation.

Arguments:
POINTER
:: p_env perturbation environment to be initialized
INTENT(out)
:: t_env tddfpt environment to be initialized
POINTER
:: qs_env Quickstep environment with the results of a ground state calcualtion