Searched refs:libxc_funcs (Results 1 – 6 of 6) sorted by relevance
496 id(ii)=libxc_funcs(ii)%id597 libxc_funcs(1:2)%id=id(1:2)601 xc_func => libxc_funcs(ii)706 xc_func => libxc_funcs(ii)769 xc_func => libxc_funcs(ii)947 libxc_ishybrid=(any(libxc_funcs(:)%is_hybrid))1062 if (any(libxc_funcs(:)%nspin==2)) libxc_nspin=21178 if (libxc_funcs(ii)%id>0) then1198 if (libxc_funcs(ii)%has_exc) then1201 if (libxc_funcs(ii)%has_vxc) then[all …]
5 integer(c_int),dimension(maxfunc) :: libxc_funcs10 common /libxc/ libxc_nfuncs,libxc_family,libxc_funcs,libxc_kind,
96 namexc = xc_f03_functional_get_name(libxc_funcs(ifunc))156 itemp(:) = libxc_funcs(:)201 libxc_funcs(:libxc_nfuncs) = int(itemp(:libxc_nfuncs),kind=c_int)
94 libxc_funcs(libxc_nfuncs) = funcid
155 call xc_f03_func_init(xcfunc,libxc_funcs(ifunc),polarized)
12 ! 'elk/src/libxc_funcs.f90' for the complete list of functionals and