Documentation for module qs_moments

Calculates the moment integrals and

source: qs_moments.F
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public Subroutines/Functions:

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SUBROUTINEbuild_berry_kpoint_matrix(qs_env, cosmat, sinmat, kvec)

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Arguments:
POINTER
:: qs_env ...
POINTER
:: cosmat(:,:) ...
POINTER
:: sinmat(:,:) ...
REAL(dp),
INTENT(in)
:: kvec(3) ...

SUBROUTINEbuild_berry_moment_matrix(qs_env, cosmat, sinmat, kvec, sab_orb_external, basis_type)

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Arguments:
POINTER
:: qs_env ...
TYPE(dbcsr_type),
POINTER
:: cosmat ...
TYPE(dbcsr_type),
POINTER
:: sinmat ...
REAL(dp),
INTENT(in)
:: kvec(3) ...
OPTIONAL, POINTER
:: sab_orb_external(:) ...
CHARACTER(*),
OPTIONAL
:: basis_type ...

SUBROUTINEbuild_local_moment_matrix(qs_env, moments, nmoments, ref_point, ref_points)

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Arguments:
POINTER
:: qs_env ...
POINTER
:: moments(:) ...
INTEGER,
INTENT(in)
:: nmoments ...
REAL(dp),
INTENT(in),
OPTIONAL
:: ref_point(:) ...
REAL(dp),
INTENT(in),
OPTIONAL
:: ref_points(:,:) ...

SUBROUTINEqs_moment_berry_phase(qs_env, magnetic, nmoments, reference, ref_point, unit_number)

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Arguments:
POINTER
:: qs_env ...
LOGICAL,
INTENT(in)
:: magnetic ...
INTEGER,
INTENT(in)
:: nmoments ...
INTEGER,
INTENT(in)
:: reference ...
REAL(dp),
POINTER
:: ref_point(:) ...
INTEGER,
INTENT(in)
:: unit_number ...

SUBROUTINEqs_moment_locop(qs_env, magnetic, nmoments, reference, ref_point, unit_number)

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Arguments:
POINTER
:: qs_env ...
LOGICAL,
INTENT(in)
:: magnetic ...
INTEGER,
INTENT(in)
:: nmoments ...
INTEGER,
INTENT(in)
:: reference ...
REAL(dp),
POINTER
:: ref_point(:) ...
INTEGER,
INTENT(in)
:: unit_number ...