src Directory Reference

Files
file	Function.F90 [code]
	This file contains the residual function of the density functional theory calculation.
file	mod_DFT_CHAIN.F90 [code]
	This file contains the subroutines which calculate the contribution of chain formation to the Helmholtz energy functional.
file	mod_DFT_CHAIN_d.F90 [code]
	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.
file	mod_DFT_DISP_WDA_d.F90 [code]
	This file contains the subroutines which calculate the derivatives of th contribution of dispersion to the Helmholtz energy functional. These derivatives were generated by the TAPEANDE online automatic differentiation tool.
file	mod_DFT_FMT.F90 [code]
	This file contains the subroutines which calculate the contribution of volume exclusion to the Helmholtz energy functional.
file	mod_DFT_FMT_d.F90 [code]
	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.
file	VLE_main.F90 [code]
	This file contains the subroutine which controls the phase equilibrium calculation.