| /dports/science/libxc/libxc-5.0.0/src/ |
| H A D | gga.c | 183 … double *v3rho3, double *v3rho2sigma, double *v3rhosigma2, double *v3sigma3) { in xc_gga_exc_vxc_fxc_kxc()
190 … double *v3rho3, double *v3rho2sigma, double *v3rhosigma2, double *v3sigma3) { in xc_gga_vxc_fxc_kxc()
208 double *v3rho3, double *v3rho2sigma, double *v3rhosigma2, double *v3sigma3) in xc_gga_kxc()
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| H A D | libxc_master.F90 | 479 real(c_double), intent(out) :: v3rho3(*), v3rho2sigma(*), v3rhosigma2(*), v3sigma3(*) local
518 real(c_double), intent(out) :: v3rho3(*), v3rho2sigma(*), v3rhosigma2(*), v3sigma3(*) local
548 real(c_double), intent(out) :: v3rho3(*), v3rho2sigma(*), v3rhosigma2(*), v3sigma3(*) local
1142 v3rho3, v3rho2sigma, v3rhosigma2, v3sigma3, & argument
1196 v3rho3, v3rho2sigma, v3rhosigma2, v3sigma3) argument
1235 v3rho3, v3rho2sigma, v3rhosigma2, v3sigma3) argument
1259 subroutine xc_f90_gga_kxc(p, np, rho, sigma, v3rho3, v3rho2sigma, v3rhosigma2, v3sigma3) argument
1314 v3rho3, v3rho2sigma, v3rho2lapl, v3rho2tau, v3rhosigma2, v3rhosigmalapl, & argument
1401 v3rho3, v3rho2sigma, v3rho2lapl, v3rho2tau, v3rhosigma2, v3rhosigmalapl, & argument
1454 v3rho3, v3rho2sigma, v3rho2lapl, v3rho2tau, v3rhosigma2, v3rhosigmalapl, & argument
[all …]
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| H A D | mgga.c | 305 … double *v3rho3, double *v3rho2sigma, double *v3rho2lapl, double *v3rho2tau, in xc_mgga_exc_vxc_fxc_kxc()
331 … double *v3rho3, double *v3rho2sigma, double *v3rho2lapl, double *v3rho2tau, in xc_mgga_vxc_fxc_kxc()
389 double *v3rho3, double *v3rho2sigma, double *v3rho2lapl, double *v3rho2tau, in xc_mgga_kxc()
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| /dports/science/elk/elk-7.2.42/src/ |
| H A D | libxcf90.f90 | 1789 v3rho3, v3rho2sigma, v3rhosigma2, v3sigma3, & argument
1797 real(c_double), intent(out) :: v3rho3(*), v3rho2sigma(*), v3rhosigma2(*), v3sigma3(*) local
1843 v3rho3, v3rho2sigma, v3rhosigma2, v3sigma3) argument
1849 real(c_double), intent(out) :: v3rho3(*), v3rho2sigma(*), v3rhosigma2(*), v3sigma3(*) local
1882 v3rho3, v3rho2sigma, v3rhosigma2, v3sigma3) argument
1888 real(c_double), intent(out) :: v3rho3(*), v3rho2sigma(*), v3rhosigma2(*), v3sigma3(*) local
1910 real(c_double), intent(out) :: v3rho3(*), v3rho2sigma(*), v3rhosigma2(*), v3sigma3(*) local
1961 v3rho3, v3rho2sigma, v3rho2lapl, v3rho2tau, v3rhosigma2, v3rhosigmalapl, & argument
2048 v3rho3, v3rho2sigma, v3rho2lapl, v3rho2tau, v3rhosigma2, v3rhosigmalapl, & argument
2101 v3rho3, v3rho2sigma, v3rho2lapl, v3rho2tau, v3rhosigma2, v3rhosigmalapl, & argument
[all …]
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| /dports/science/atompaw/atompaw-4.1.1.0/src/ |
| H A D | libxc_tools.c | 197 double *v3rho3, double *v3rho2sigma, double *v3rhosigma2, double *v3sigma3) in xc_get_gga()
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| H A D | libxc_mod.F90 | 1127 real(8),target :: v3rho3(4),v3rho2sigma(9),v3rhosigma2(12),v3sigma3(10) local
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| /dports/science/py-pyscf/pyscf-2.0.1/pyscf/lib/dft/ |
| H A D | libxc_itrf.c | 98 double *v3rho2sigma = NULL; in _eval_xc() local
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_x_lb.c | 17 …ble *v2rho2, double *v2rhosigma, double *v2sigma2, double *v3rho3, double *v3rho2sigma, double *v3… in func_unpol()
220 …ble *v2rho2, double *v2rhosigma, double *v2sigma2, double *v3rho3, double *v3rho2sigma, double *v3… in func_ferr()
421 …ble *v2rho2, double *v2rhosigma, double *v2sigma2, double *v3rho3, double *v3rho2sigma, double *v3… in func_pol()
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