Commit 304a1f9d authored by Matthias Redies's avatar Matthias Redies

MetaGGA only for exc sofar

parent d192b448
......@@ -29,7 +29,7 @@ MODULE m_types_xcpot_libxc
CONTAINS
PROCEDURE :: vxc_is_gga => xcpot_vxc_is_gga
PROCEDURE :: exc_is_gga => xcpot_exc_is_gga
PROCEDURE :: is_MetaGGA => xcpot_is_MetaGGA
PROCEDURE :: exc_is_MetaGGA => xcpot_exc_is_MetaGGA
PROCEDURE :: is_hybrid => xcpot_is_hybrid
PROCEDURE :: get_exchange_weight => xcpot_get_exchange_weight
PROCEDURE :: get_vxc => xcpot_get_vxc
......@@ -119,8 +119,7 @@ CONTAINS
TYPE(xc_f03_func_info_t) :: xc_info
xc_info = xc_f03_func_get_info(xcpot%vxc_func_x)
xcpot_vxc_is_gga = ANY([XC_FAMILY_GGA, XC_FAMILY_HYB_GGA]==xc_f03_func_info_get_family(xc_info)) &
.or. xcpot%is_MetaGGA()
xcpot_vxc_is_gga = ANY([XC_FAMILY_GGA, XC_FAMILY_HYB_GGA]==xc_f03_func_info_get_family(xc_info))
#else
xcpot_vxc_is_gga=.false.
#endif
......@@ -133,25 +132,24 @@ CONTAINS
TYPE(xc_f03_func_info_t) :: xc_info
xc_info = xc_f03_func_get_info(xcpot%vxc_func_x)
xcpot_exc_is_gga = ANY([XC_FAMILY_GGA, XC_FAMILY_HYB_GGA]==xc_f03_func_info_get_family(xc_info)) &
.or. xcpot%is_MetaGGA()
xcpot_exc_is_gga = ANY([XC_FAMILY_GGA, XC_FAMILY_HYB_GGA]==xc_f03_func_info_get_family(xc_info))
#else
xcpot_exc_is_gga=.false.
#endif
END FUNCTION xcpot_exc_is_gga
LOGICAL FUNCTION xcpot_is_MetaGGA(xcpot)
LOGICAL FUNCTION xcpot_exc_is_MetaGGA(xcpot)
IMPLICIT NONE
CLASS(t_xcpot_libxc),INTENT(IN):: xcpot
#ifdef CPP_LIBXC
TYPE(xc_f03_func_info_t) :: xc_info
xc_info = xc_f03_func_get_info(xcpot%exc_func_x)
xcpot_is_MetaGGA=ANY([XC_FAMILY_MGGA, XC_FAMILY_HYB_MGGA]==xc_f03_func_info_get_family(xc_info))
xcpot_exc_is_MetaGGA=ANY([XC_FAMILY_MGGA, XC_FAMILY_HYB_MGGA]==xc_f03_func_info_get_family(xc_info))
#else
xcpot_is_MetaGGA = .False.
xcpot_exc_is_MetaGGA = .False.
#endif
END FUNCTION xcpot_is_MetaGGA
END FUNCTION xcpot_exc_is_MetaGGA
LOGICAL FUNCTION xcpot_is_hybrid(xcpot)
IMPLICIT NONE
......
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