Added a call to nga_antisymmetrize, so now shell_fock_build accepts either symmetric (Dij=Dji) or anti-symmetric (Dij=-Dji) (but not asymmetric) density matrices, and the argument osym must tell the subroutine whether the input density matrix is sym (osym=.true.) or antisym (osym=.false.).  The output fock (like) matrices are also either symmetric or anti-symmetric, respectively. nga_antisymmetrize can be found in etrans directory.
Added a call to nga_antisymmetrize, so now shell_fock_build accepts either
symmetric (Dij=Dji) or anti-symmetric (Dij=-Dji) (but not asymmetric) density
matrices, and the argument osym must tell the subroutine whether the input
density matrix is sym (osym=.true.) or antisym (osym=.false.).  The output
fock (like) matrices are also either symmetric or anti-symmetric, respectively.
nga_antisymmetrize can be found in etrans directory.



rangsimanketkaew/NWChem