CF_mod.F90

module functions

contains

real function dist(x,y,z,a,b,c)
! Function checks the distance of two molecules 
! in 3D space using simple distance formula
! xyz mol 1; abc mol2

implicit none
		real,intent(in) :: x, y, z, a, b, c
		
	dist = sqrt(((a-x)*(a-x)) + ((b-y)*(b-y)) + ((c-z)*(c-z)))
	
end function dist

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integer function chain(beadNum)
! Function finds which chain a molecule 
! belongs to. Each chain is assumed to be 
! 40 molecules in length

implicit none
	real,intent(in) :: beadNum
	
	chain = ceiling(beadnum/40.0)
	
end function chain

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end module

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module chain_Functions

contains

integer function chainEnds(beadNum)
! Function finds which half of a chain
! a molecule belongs to. Each chain is 
! assumed to 40 molecules in length.

use functions, only : chain 

implicit none
	integer,intent(in) :: beadNum
	integer	    	   :: chainNum
	
	chainNum = chain(real(beadNum)) 
	
	if (mod(float(beadNum),40.0) .gt. 20) then
		chainEnds = chainNum + 1
	else
		chainEnds = chainNum
	end if
	
end function

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end module