计算材料学Fortran程序汇总
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INTEGER M(1:10000), NUMBER1(0:364), NUMBER2
REAL X,Y
ISEED=RTC()
DO J=1, 10000
NUMBER1=0
X=RAN(ISEED)
NUMBER1(0)=INT(365*X+1)
JJJ=1
DO I=1,364
Y=RAN(ISEED)
NUMBER2=INT(365*Y+1)
ETR=COUNT(NUMBER1.EQ.NUMBER2)
IF (ETR= =1) THEN
EXIT
ELSE
JJJ=JJJ+1
M(J)=JJJ
NUMBER1(I)=NUMBER2
END IF
END DO
END DO
DO I=1,10000
IF(M(I).LE.23) SUM=SUM+1
END DO
PRINT *,SUM/10000
END
=================================================
Monte Carlo Simulation of One Dimensional Diffusion
INTEGER X,XX(1:1000,1:1000)
REAL XXM(1:1000)
! X:INSTANTANEOUS POSITION OF ATOM
! XX(J,I)：X*X ,J:第几天实验,I:第几步跳跃
! XXM(I): THE MEAN OF XX
WRITE(*,*) "实验天数JMAX，实验次数IMAX"
READ(*,*) JMAX,IMAX
ISEED=RTC()
DO J=1,JMAX !第几天实验
X=0 !!!
DO I=1,IMAX !第几步跳跃
RN=RAN(ISEED)
IF(RN<0.5)THEN
X=X+1
ELSE
X=X-1
END IF
XX(J,I)=X*X
END DO
END DO
OPEN(1,FILE="C:\DIF1.DAT")
DO I=1,IMAX
XXM=0.0
XXM(I)=1.0*SUM(XX(1:JMAX,I))/JMAX !!
WRITE(1,*) I, XXM(I)
END DO
CLOSE(1)
END
============================================================ ! Monte Carlo Simulation of Two Dimensional Diffusion
INTEGER X,Y,XY(1:1000,1:1000)
REAL XYM(1:1000)
! X:INSTANTANEOUS POSITION OF ATOM
! XY(J,I)：X*Y ,J:第几天实验,I:第几步跳跃
! XYM(I): THE MEAN OF XY
WRITE(*,*) "实验天数JMAX，实验次数IMAX"
READ(*,*) JMAX,IMAX
ISEED=RTC()
DO J=1,JMAX !第几天实验
X=0 !!!
Y=0 !!!
DO I=1,IMAX !第几步跳跃
RN=RAN(ISEED)
IF(RN.LT.0.25)THEN
x=x
y=y-1
END IF
IF(RN.LT.0.5.AND.RN.GE.0.25)THEN
x=x
y=y+1
END IF
IF(RN.LT.0.75.AND.RN.GE.0.5)THEN
x=x-1
y=y
END IF
IF(RN.GE.0.75)THEN
x=x+1
y=y
END IF
XY(J,I)=X*X+Y*Y
END DO
END DO
OPEN(1,FILE="C:\DIF2.DAT")
DO I=1,IMAX
XYM=0.0
XYM(I)=1.0*SUM(XY(1:JMAX,I))/JMAX !!
WRITE(1,*) I, XYM(I)
END DO
CLOSE(1)
END
===============================================
! Monte Carlo Simulation of One Dimensional Diffusion INTEGER X,XY(1:1000,1:1000),y,XN(1:4),YN(1:4),RN
REAL XYM(1:1000)
! X:INSTANTANEOUS POSITION OF ATOM
! XY(J,I)：X*Y ,J:第几天实验,I:第几步跳跃
! XYM(I): THE MEAN OF XY
WRITE(*,*) "实验天数JMAX，实验次数IMAX"
READ(*,*) JMAX,IMAX
XN=(/0,0,-1,1/)
YN=(/-1,1,0,0/)
ISEED=RTC()
DO J=1,JMAX !第几天实验
X=0 !!!
Y=0 !!!
DO I=1,IMAX !第几步跳跃
RN=4*RAN(ISEED)+1
X=X+YN(RN)
Y=Y+YN(RN)
XY(J,I)=X*X+Y*Y
END DO
END DO
OPEN(1,FILE="C:\DIF2.DAT")
DO I=1,IMAX
XYM=0.0
XYM(I)=1.0*SUM(XY(1:JMAX,I))/JMAX !!
WRITE(1,*) I, XYM(I)
END DO
CLOSE(1)
END
做三维空间随机行走？？留作业
! Monte Carlo Simulation of One Dimensional Diffusion INTEGER X,XY(1:1000,1:1000),y,XN(1:6),YN(1:6),ZN(1:6),RN REAL XYM(1:1000)
! X:INSTANTANEOUS POSITION OF ATOM
! XY(J,I)：X*Y ,J:第几天实验,I:第几步跳跃
! XYM(I): THE MEAN OF XY
WRITE(*,*) "实验天数JMAX，实验次数IMAX"
READ(*,*) JMAX,IMAX
XN=(/0,0,-1,1,0,0/)
YN=(/-1,1,0,0,0,0/)
ZN=(/0,0,0,0,1,-1/)
ISEED=RTC()
DO J=1,JMAX !第几天实验
X=0 !!!
Y=0 !!!
Z=0
DO I=1,IMAX !第几步跳跃
RN=6*RAN(ISEED)+1
X=X+XN(RN)
Y=Y+YN(RN)
Z=Z+ZN(RN)
XY(J,I)=X*X+Y*Y+Z*Z
END DO
END DO
OPEN(1,FILE="C:\DIF2.DAT")
DO I=1,IMAX
XYM=0.0
XYM(I)=1.0*SUM(XY(1:JMAX,I))/JMAX !!
WRITE(1,*) I, XYM(I)
END DO
CLOSE(1)