NLESC-JCER / Fortran_Davidson

Davidson eigensolver implemented in Fortran
Apache License 2.0
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optimize the subspace calculation #6

Closed felipeZ closed 5 years ago

felipeZ commented 5 years ago

Append the orthonormalized correction vector to the previous subspace and compute the new reduce Hamiltonian H' = V^T H V
by computing only the matrix elements involved with the new correction vector.

felipeZ commented 5 years ago

solved by #9