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Committer:
Alberto Garcia
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Date:
2019-05-09 14:35:26 UTC
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Revision ID:
albertog@icmab.es-20190509143526-patkkeluhx730ltp
First installment of computation of R_mu_nu elements for thermal transport
(Work in progress)
routine rmatrix in module m_rmatrix in rmatrix.f is modelled after 'overlap'.
It computes Rmat, wich is a pointer to the value section of the dSp2D object Rmat_2D.
Both live in module sparse_matrices.
TODO:
-- Use the correct origin for the X,Y,Z matrix elements (matel puts the origin in
the second orbital).
-- Debug obscure error coming from the spher_harm module.
-- Debug parallel operation
-- "Deletion" of Rmat_2D in reset_sparse_matrices might need to be wrapped.