| /dports/science/libxc/libxc-5.0.0/src/ |
| H A D | mgga.c | 15 xc_mgga(const xc_func_type *func, size_t np, in xc_mgga() function
236 xc_mgga(p, np, rho, sigma, lapl, tau, zk, NULL, NULL, NULL, NULL, in xc_mgga_exc()
252 xc_mgga(p, np, rho, sigma, lapl, tau, zk, vrho, vsigma, vlapl, vtau, in xc_mgga_exc_vxc()
269 xc_mgga(p, np, rho, sigma, lapl, tau, zk, vrho, vsigma, vlapl, vtau, in xc_mgga_exc_vxc_fxc()
287 xc_mgga(p, np, rho, sigma, lapl, tau, NULL, vrho, vsigma, vlapl, vtau, in xc_mgga_vxc_fxc()
311 xc_mgga(p, np, rho, sigma, lapl, tau, zk, vrho, vsigma, vlapl, vtau, in xc_mgga_exc_vxc_fxc_kxc()
337 xc_mgga(p, np, rho, sigma, lapl, tau, NULL, vrho, vsigma, vlapl, vtau, in xc_mgga_vxc_fxc_kxc()
357 xc_mgga(p, np, rho, sigma, lapl, tau, NULL, vrho, vsigma, vlapl, vtau, in xc_mgga_vxc()
375 xc_mgga(p, np, rho, sigma, lapl, tau, NULL, NULL, NULL, NULL, NULL, in xc_mgga_fxc()
396 xc_mgga(p, np, rho, sigma, lapl, tau, NULL, NULL, NULL, NULL, NULL, in xc_mgga_kxc()
[all …]
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| H A D | xc.h | 249 void xc_mgga(const xc_func_type *p, size_t np,
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| H A D | xc-threshold.c | 488 xc_mgga(&func, 1, values.rho, values.sigma, values.lapl, values.tau, in main()
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| H A D | mix_func.c | 293 xc_mgga(aux, np, rho, sigma, lapl, tau, in xc_mix_func()
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| H A D | libxc_master.F90 | 609 subroutine xc_mgga(p, np, rho, sigma, lapl, tau, zk, vrho, vsigma, vlapl, vtau, &
644 end subroutine xc_mgga
1346 call xc_mgga(p%ptr, np, rho, sigma, lapl, tau, zk, vrho, vsigma, vlapl, vtau, &
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/CPV/src/ |
| H A D | metaxc.f90 | 15 use xc_mgga, only: xc_metagcx, change_threshold_mgga !, &
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| /dports/science/atompaw/atompaw-4.1.1.0/src/ |
| H A D | libxc_tools.c | 218 {xc_mgga(xc_func, np, rho, sigma, lapl, tau, zk, vrho, vsigma, vlapl, vtau, in xc_get_mgga()
228 {xc_mgga(xc_func, np, rho, sigma, lapl, tau, zk, vrho, vsigma, vlapl, vtau,
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| /dports/science/libxc/libxc-5.0.0/pylibxc/ |
| H A D | functional.py | 110 core.xc_mgga.argtypes = _build_comute_argtype(4, 70)
720 core.xc_mgga(*args)
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/ |
| H A D | stres_gradcorr.f90 | 17 USE xc_mgga, ONLY: xc_metagcx
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| H A D | v_of_rho.f90 | 155 USE xc_mgga, ONLY : xc_metagcx
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| /dports/science/libxc/libxc-5.0.0/testsuite/ |
| H A D | xc-get_data.c | 248 xc_mgga(&func, 1, xc.rho, xc.sigma, xc.lapl, xc.tau, in main()
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| H A D | xc-regression.c | 403 xc_mgga(&func, d.n, d.rho, d.sigma, d.lapl, d.tau, zk, vrho, d.vsigma, d.vlapl, d.vtau, in main()
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| /dports/science/py-pyscf/pyscf-2.0.1/pyscf/lib/dft/ |
| H A D | libxc_itrf.c | 271 xc_mgga(func_x, np, rho, sigma, lapl, tau, ex, in _eval_xc()
313 xc_mgga(func_x, np, rho, sigma, lapl, tau, ex, in _eval_xc()
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| /dports/science/elk/elk-7.2.42/src/ |
| H A D | libxcf90.f90 | 1204 subroutine xc_mgga(p, np, rho, sigma, lapl, tau, zk, vrho, vsigma, vlapl, vtau, &
1239 end subroutine xc_mgga
1993 call xc_mgga(p%ptr, np, rho, sigma, lapl, tau, zk, vrho, vsigma, vlapl, vtau, &
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/PP/src/ |
| H A D | xctest_qe_libxc.f90 | 38 USE xc_mgga, ONLY: xc_metagcx
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