Page 369 - Handbook Of Multiphase Flow Assurance

368 10. Research methods in flow assurance

IMPLICIT REAL*8(A-H,O-Z)
COMMON /NRUN / Ncycle,Ndead,Kprint,Kdprnt,Kcyc,Neq
COMMON /POTPAM/ Casqof,Co,Rsqon,Rsqoff,Rcut,Pi,Tk,Temp
C ... Initialization
C

CALL POLY
CALL RUNPAR
CALL SURFCE
CALL LJPARM
CALL INIPOS
CALL ENPOLY
CALL RESTARTCHECK(Nstart)
IF(Nstart.ne.1) goto 10
CALL GRAPHDATA

C ... Equilibration
CALL REINIT
10 IF(Neq.eq.1) goto 20
CALL CYCLES(Nstart,Ndead)
Nstart=1
Kcyc=0
Neq=1
Temp=Temp*0.5
Tk=Tk*0.5
CALL CRASHSAVE

C ... main process
CALL REINIT
20 CALL CYCLES(Nstart,Ncycle)

C normalize the z(backbone) and other data
CALL SUMMARY
C
STOP
END
C
C-------------------------------------------------------------------
C
SUBROUTINE POLY
C This subroutine arranges atoms into monomer groups by doing a chain
c search.
c *** The condition of this search – polymer backbone can consist ***
c *** only of carbon or oxygen atoms. Carbons should be CH2 or CH.***
c *** Side groups can't start with a −CH2− or a −CH− carbon***