Octopus
subspace.F90 File Reference

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Modules

module  subspace_oct_m
 

Data Types

type  subspace_oct_m::subspace_t
 

Functions/Subroutines

subroutine subspace_oct_m::subspace_init (this, namespace, st)
 Initialize Subspace type. More...
 
subroutine, public subspace_oct_m::dsubspace_diag (this, namespace, mesh, st, hm, ik, eigenval, diff, nonortho)
 Diagonalises the Hamiltonian in the subspace defined by the states. More...
 
subroutine subspace_oct_m::dsubspace_diag_standard (namespace, mesh, st, hm, ik, eigenval, diff, nonortho)
 Diagonalises the Hamiltonian in the subspace defined by the states. More...
 
subroutine subspace_oct_m::dsubspace_diag_scalapack (namespace, mesh, st, hm, ik, eigenval, psi, diff)
 This routine diagonalises the Hamiltonian in the subspace defined by the states; this version is aware of parallelization in states but consumes more memory. More...
 
subroutine subspace_oct_m::dsubspace_diag_hamiltonian (namespace, mesh, st, hm, ik, hmss, overlap)
 Diagonalises the Hamiltonian in the subspace defined by the states. More...
 
subroutine, public subspace_oct_m::zsubspace_diag (this, namespace, mesh, st, hm, ik, eigenval, diff, nonortho)
 Diagonalises the Hamiltonian in the subspace defined by the states. More...
 
subroutine subspace_oct_m::zsubspace_diag_standard (namespace, mesh, st, hm, ik, eigenval, diff, nonortho)
 Diagonalises the Hamiltonian in the subspace defined by the states. More...
 
subroutine subspace_oct_m::zsubspace_diag_scalapack (namespace, mesh, st, hm, ik, eigenval, psi, diff)
 This routine diagonalises the Hamiltonian in the subspace defined by the states; this version is aware of parallelization in states but consumes more memory. More...
 
subroutine subspace_oct_m::zsubspace_diag_hamiltonian (namespace, mesh, st, hm, ik, hmss, overlap)
 Diagonalises the Hamiltonian in the subspace defined by the states. More...