Documentation for module atom_output

routines that build the integrals of the Vxc potential calculated for the atomic code

source: atom_output.F
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public Subroutines/Functions:

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SUBROUTINE
atom_print_info (zval, info, iw)
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SUBROUTINE
atom_print_method (atom, iw)
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SUBROUTINE
atom_print_state (state, iw)
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Printing of the atomic iterations when ZMP is active
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SUBROUTINEatom_print_basis(atom_basis, iw, title)

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Arguments:
:: atom_basis ...
INTEGER,
INTENT(in)
:: iw ...
CHARACTER(*)
:: title ...

SUBROUTINEatom_print_basis_file(atom_basis)

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Arguments:
:: atom_basis ...

SUBROUTINEatom_print_energies(atom, iw)

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Arguments:
TYPE(atom_type)
:: atom ...
INTEGER,
INTENT(in)
:: iw ...

SUBROUTINEatom_print_info(zval, info, iw)

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Arguments:
INTEGER,
INTENT(in)
:: zval ...
CHARACTER(*),
INTENT(in)
:: info ...
INTEGER,
INTENT(in)
:: iw ...

SUBROUTINEatom_print_iteration(iter, deps, etot, iw)

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Arguments:
INTEGER,
INTENT(in)
:: iter ...
REAL(dp),
INTENT(in)
:: deps ...
REAL(dp),
INTENT(in)
:: etot ...
INTEGER,
INTENT(in)
:: iw ...

SUBROUTINEatom_print_method(atom, iw)

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Arguments:
TYPE(atom_type)
:: atom ...
INTEGER,
INTENT(in)
:: iw ...

SUBROUTINEatom_print_orbitals(atom, iw)

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Arguments:
TYPE(atom_type),
POINTER
:: atom ...
INTEGER,
INTENT(in)
:: iw ...

SUBROUTINEatom_print_potential(potential, iw)

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Arguments:
:: potential ...
INTEGER,
INTENT(in)
:: iw ...

SUBROUTINEatom_print_state(state, iw)

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Arguments:
:: state ...
INTEGER,
INTENT(in)
:: iw ...

SUBROUTINEatom_print_zmp_iteration(iter, deps, atom, iw)

Printing of the atomic iterations when ZMP is active

Arguments:
INTEGER,
INTENT(in)
:: iter ...
REAL(dp),
INTENT(in)
:: deps ...
TYPE(atom_type),
INTENT(in)
:: atom ...
INTEGER,
INTENT(in)
:: iw ...

SUBROUTINEatom_write_pseudo_param(gthpot, iunit)

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Arguments:
INTENT(inout)
:: gthpot ...
INTEGER,
INTENT(in),
OPTIONAL
:: iunit ...