作者collow (随缘)
看板Programming
标题[问题] 请问这个该用什麽编译器比较好？
时间Thu Apr 24 23:10:08 2008
请问各位大大，以下的程式码该用什麽编译器啊？
我试过gcc, g77, g95都不行耶！
谢谢各位帮忙…
以下只是程式的一部分。
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IMPLICIT DOUBLE PRECISION (A-H,O-Z)
C
CHARACTER*8 ATNAM
CHARACTER*80 JOBTTL,WFNTTL
CHARACTER*4 FWFN /'.wfn'/, FWLP /'.crt'/
CHARACTER*8 BLANK /' '/
CHARACTER*40 WFN,WLP
Parameter(MaxAtm=100,MaxOff=200000,MaxCrt=500)
COMMON CO(MaxOff),IC(MaxOff),NCENT,NMO,NPRIMS
COMMON /ANG/ ANGLE(3,MaxAtm,MaxAtm)
COMMON /OFFSET/ ITYPE,ICENT,IMO,IEORB,IE,ICHARG,IXC,IYC,IZC,
$ IXX, IYY, IZZ,IRR,IR2,IP,IPSI,IGX,IGY,IGZ,IGXX,IGXY,IGXZ,IGYY,
$ IGYZ,IGZZ,IGXXX,IGXXY,IGXXZ,IGXYY,IGXZZ,IGXYZ,IGYYY,IGYYZ,
$ IGYZZ,IGZZZ,IGXXXX,IGXXXY,IGXXXZ,IGXXYY,IGXXZZ,IGXYYY,IGXZZZ,
$ IGXXYZ,IGXYYZ,IGXYZZ,IGYYYY,IGYYYZ,IGYYZZ,IGYZZZ,IGZZZZ,ICofMx
COMMON /STRING/ WFNTTL,JOBTTL,ATNAM(MaxAtm)
COMMON /UNITS/ INPT,IOUT,IWFN,IWLP
COMMON /OPTIONS/ ICut,IPrint,Eps,EpsNuc,Dmp,DmpNuc
DIMENSION JI1(MaxCrt),JI2(MaxCrt),X(MaxCrt),Y(MaxCrt),Z(MaxCrt),
$ XYZ(3),EVSAVE(MaxCrt,3)
DATA Zero/0.d0/,One/1.d0/,Two/2.d0/,Three/3.d0/,Ten/10.0d0/
$ Four/4.d0/,pt5/0.5d0/,degen/1.d-8/
1000 FORMAT(' ENTER THE TITLE OF THIS RUN ')
1010 FORMAT(A80)
1020 FORMAT(' EXTREME ')
1030 Format(' NUCLEAR COORDINATES')
1040 FORMAT(6X,A8,4X,3F15.8)
1050 FORMAT(' WHICH SCALAR FIELD TO ANALYZE: ',/,' ELECTRON',
+' DENSITY, RHO (1)',/,' LAPLACIAN OF RHO, DEL**2(RHO) (2)',/,
+ ' LAGRANGIAN KINETIC ENERGY DENSITY, G (3)',/,' HAMILTONIAN ',
+ 'KINETIC ENERGY DENSITY, K (4)',/,
+ ' NUCLEAR POTENTIAL, Vnuc (5)',/,
+ ' POTENTIAL ENERGY DENSITY, V (6)',/,' Enter (1-6): ', $)
1060 FORMAT(/,' TRY AGAIN ')
1070 FORMAT(' ANALYZING RHO, THE ELECTRON DENSITY')
1080 FORMAT(' ANALYZING DEL**2(RHO), THE LAPLACIAN OF THE ELECTRON',
+' DENSITY')
1090 FORMAT(' ANALYZING G, THE LAGRANGIAN KINETIC ENERGY DENSITY')
1100 FORMAT(' ANALYZING K, THE HAMILTONIAN KINETIC ENERGY DENSITY')
1110 FORMAT(' ANALYZING Vnuc, THE NUCLEAR POTENTIAL FIELD')
1115 FORMAT(' ANALYZING V, THE POTENTIAL ENERGY DENSITY ')
1120 FORMAT(/,' COORDS or NUCLEAR (0), BOND (1), RING (2),',
+ ' CAGE (3), ANGLE (4), POINT (5),',/,
+' MEGA (6), OPTIONS (7), LIST CURRENT CPs (8), STOP (9)',/,
+' Enter (1-9) ',$)
1121 Format(/,' Nuclear Coordinates (1) or Arbitrary',
+' Coordinates (0) ? ',$)
1122 Format(/' Enter Nucleus Number for Nuclear Critical Point',
+' Search ',$)
1130 FORMAT(/,' INPUT STARTING COORDINATES FOR NEWTON-RAPHSON',
$' SEARCH ',/,' ',$)
1140 FORMAT(/,' STARTING COORDINATES FOR NEWTON-RAPHSON SEARCH ',
$ /,1X,3F15.8)
1141 FORMAT(/,' NUCLEUS ',I4,' STARTING COORDINATES FOR',
$' NEWTON-RAPHSON SEARCH ',
$ /,1X,3F15.8)
1150 FORMAT(/,' INPUT NUMBERS OF TWO ATOMS TO SEARCH BETWEEN: ',$)
1160 FORMAT(/,' ONE OR MORE OF THE ATOMS DOES NOT EXIST:',
+ ' INPUT NUMBERS AGAIN ',$)
1170 FORMAT(/,' START HALFWAY BETWEEN ATOMS (1) OR ANOTHER FRACTION',
$' OF DISTANCE (0) ? ',$)
1180 FORMAT(/,' FRACTION (eg. 0.5) OF DISTANCE FROM ATOM ',I4,
$' TO ATOM ', I4,' TO START SEARCH ? ',/,$)
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