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Searched refs:xc_mgga_vxc (Results 1 – 11 of 11) sorted by relevance

/dports/science/libxc/libxc-5.0.0/src/
H A Dxc.h271 void xc_mgga_vxc(const xc_func_type *p, size_t np,
H A Dlibxc_master.F90695 subroutine xc_mgga_vxc(p, np, rho, sigma, lapl, tau, vrho, vsigma, vlapl, vtau) bind(c)
701 end subroutine xc_mgga_vxc
1432 call xc_mgga_vxc(p%ptr, np, rho, sigma, lapl, tau, vrho, vsigma, vlapl, vtau)
H A Dmgga.c353 xc_mgga_vxc(const xc_func_type *p, size_t np, in xc_mgga_vxc() function
/dports/science/libxc/libxc-5.0.0/pylibxc/
H A Dfunctional.py113 core.xc_mgga_vxc.argtypes = _build_comute_argtype(4, 4)
/dports/science/py-gpaw/gpaw-21.6.0/c/xc/
H A Dlibxc.c572 xc_mgga_vxc(self->functional[0], PyArray_DIM(n_g, 0),
/dports/science/helfem/HelFEM-21461e9/src/sadatom/
H A Ddftgrid.cpp294 …xc_mgga_vxc(&func, N, rho.memptr(), sigma.memptr(), laplp, taup, vxc_wrk.memptr(), vsigma_wrk.memp… in compute_xc()
/dports/science/elk/elk-7.2.42/src/
H A Dlibxcf90.f901290 subroutine xc_mgga_vxc(p, np, rho, sigma, lapl, tau, vrho, vsigma, vlapl, vtau) bind(c)
1296 end subroutine xc_mgga_vxc
2079 call xc_mgga_vxc(p%ptr, np, rho, sigma, lapl, tau, vrho, vsigma, vlapl, vtau)
/dports/science/helfem/HelFEM-21461e9/src/atomic/
H A Ddftgrid.cpp449 …xc_mgga_vxc(&func, N, rho.memptr(), sigma.memptr(), laplp, taup, vxc_wrk.memptr(), vsigma_wrk.memp… in compute_xc()
/dports/science/helfem/HelFEM-21461e9/src/diatomic/
H A Ddftgrid.cpp473 …xc_mgga_vxc(&func, N, rho.memptr(), sigma.memptr(), laplp, taup, vxc_wrk.memptr(), vsigma_wrk.memp… in compute_xc()
/dports/science/erkale/erkale-8297aefe5aac9dbbb291e04c07661f3cff94a99a/src/
H A Ddftgrid.cpp977 …xc_mgga_vxc(&func, N, rho.memptr(), sigma.memptr(), laplp, taup, vxc_wrk.memptr(), vsigma_wrk.memp… in compute_xc()
/dports/science/erkale-pseudopotentials/erkale-870e772f09631b3dbdd99a18e4f3d4786d684a01/src/
H A Ddftgrid.cpp977 …xc_mgga_vxc(&func, N, rho.memptr(), sigma.memptr(), laplp, taup, vxc_wrk.memptr(), vsigma_wrk.memp… in compute_xc()