mod_DFT_FMT_d.F90 File Reference

This file contains the subroutines which calculate the derivatives of the contribution of volume exclusion to the Helmholtz energy functional. These derivatives were obtained by automatic differentiation using the TAPENADE online tool. More...

#include <finclude/petscsys.h>

Go to the source code of this file.

Functions/Subroutines
subroutine, public	mod_dft_fmt_d::fmt_weighted_densities_d (rhop, rhopd, n0, n1, n2, n3, nv1, nv2, phi_dn0, phi_dn0d, phi_dn1, phi_dn1d, phi_dn2, phi_dn2d, phi_dn3, phi_dn3d, phi_dnv1, phi_dnv1d, phi_dnv2, phi_dnv2d, user)
subroutine, public	mod_dft_fmt_d::fmt_dfdrho_d (i, fa, user, phi_dn0, phi_dn0d, phi_dn1, phi_dn1d, phi_dn2, phi_dn2d, phi_dn3, phi_dn3d, phi_dnv1, phi_dnv1d, phi_dnv2, phi_dnv2d, df_drho_fmt, df_drho_fmtd)

Detailed Description

This file contains the subroutines which calculate the derivatives of the contribution of volume exclusion to the Helmholtz energy functional. These derivatives were obtained by automatic differentiation using the TAPENADE online tool.

Definition in file mod_DFT_FMT_d.F90.