mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-26 21:33:30 +01:00
| .. | ||
| dav_ext_rout.irp.f | ||
| dav_general.irp.f | ||
| NEED | ||
| README.rst | ||
| test_dav.irp.f | ||
=============== dav_general_mat =============== This modules allows to use the Davidson Algorithm for general squared symmetric matrices You have two options : a) the routine "davidson_general" to whom you pass the matrix you want to diagonalize b) the routine "davidson_general_ext_rout" to whom you pass the subroutine that realizes v = H u See the routines in "test_dav.irp.f" for a clear example.