mod_DFT_CHAIN_d.F90 File Reference

This file contains the subroutines which calculate the derivatives of the contribution of chain formation to the Helmholtz energy functional. These derivatives were obtained from the TAPENADE automatic differentiation online tool. More...

#include <finclude/petscsys.h>

Go to the source code of this file.

Functions/Subroutines
subroutine, public	mod_dft_chain_d::chain_aux_d (rhop, rhopd, rhobar, rhobard, lambda, lambdad, user)
subroutine, public	mod_dft_chain_d::chain_dfdrho_d (i, rhop, rhopd, lambda, lambdad, rhobar, rhobard, df_drho_chain, df_drho_chaind, user)
subroutine	mod_dft_chain_d::cavity_mix_d (rhoi, rhoid, ycorr, ycorrd, dlnydr, dlnydrd)

Detailed Description

This file contains the subroutines which calculate the derivatives of the contribution of chain formation to the Helmholtz energy functional. These derivatives were obtained from the TAPENADE automatic differentiation online tool.

Definition in file mod_DFT_CHAIN_d.F90.