MoDeNa  1.0
Software framework facilitating sequential multi-scale modelling
mod_DFT_CHAIN.F90 File Reference

This file contains the subroutines which calculate the contribution of chain formation to the Helmholtz energy functional. More...

#include <finclude/petscsys.h>

Go to the source code of this file.

Functions/Subroutines

subroutine, public mod_dft_chain::chain_aux (rhop, rhobar, lambda, user)
 
subroutine, public mod_dft_chain::chain_dfdrho (i, rhop, lambda, rhobar, dF_drho_CHAIN, f_ch, user)
 
subroutine mod_dft_chain::cavity_mix (rhoi, ycorr, dlnydr)
 

Detailed Description

This file contains the subroutines which calculate the contribution of chain formation to the Helmholtz energy functional.

Definition in file mod_DFT_CHAIN.F90.