hdiff output

r32428/newconnodata.f 2017-04-28 11:30:12.617847433 +0100 r32427/newconnodata.f 2017-04-28 11:30:12.837850314 +0100
 31:       IMPLICIT NONE 31:       IMPLICIT NONE
 32:       INTEGER J2, CONNID, STATUS, LUNIT 32:       INTEGER J2, CONNID, STATUS, LUNIT
 33:       DOUBLE PRECISION LOCALPOINTS1(3*NATOMS), SAVEPOINTS(3*NATOMS), RANDOM, DPRAND 33:       DOUBLE PRECISION LOCALPOINTS1(3*NATOMS), SAVEPOINTS(3*NATOMS), RANDOM, DPRAND
 34:       CHARACTER(LEN=20) UNSTRING 34:       CHARACTER(LEN=20) UNSTRING
 35:       CHARACTER(LEN=10) CONNSTR 35:       CHARACTER(LEN=10) CONNSTR
 36:       CHARACTER(LEN=80) FPOO 36:       CHARACTER(LEN=80) FPOO
 37:  37: 
 38:       WRITE(CONNSTR,'(I10)') CONNID 38:       WRITE(CONNSTR,'(I10)') CONNID
 39:       CALL MYSYSTEM(STATUS,DEBUG,'cat odata.tspath > odata.'//TRIM(ADJUSTL(CONNSTR))) 39:       CALL MYSYSTEM(STATUS,DEBUG,'cat odata.tspath > odata.'//TRIM(ADJUSTL(CONNSTR)))
 40:  40: 
 41:       IF (MLP3T.OR.MLPB3T) THEN 41:       DO J2=1,3*NATOMS
 42:          DO J2=1,NOPT 42:          RANDOM=DPRAND()
 43:             IF (FROZEN(J2)) THEN 43:          LOCALPOINTS1(J2)=LOCALPOINTS1(J2)+(RANDOM-0.5D0)*2.0D0*PERTVALUE
 44:                LOCALPOINTS1(J2)=LOCALPOINTS1(J2) 44:       ENDDO
 45:             ELSE 
 46:                RANDOM=DPRAND() 
 47:                LOCALPOINTS1(J2)=LOCALPOINTS1(J2)+(RANDOM-0.5D0)*2.0D0*PERTVALUE 
 48:             ENDIF 
 49:          ENDDO 
 50:       ELSE 
 51:          DO J2=1,3*NATOMS 
 52:             RANDOM=DPRAND() 
 53:             LOCALPOINTS1(J2)=LOCALPOINTS1(J2)+(RANDOM-0.5D0)*2.0D0*PERTVALUE 
 54:          ENDDO 
 55:       ENDIF 
 56:  45: 
 57:       IF (CHARMMT) THEN 46:       IF (CHARMMT) THEN
 58:          IF (MACHINE) THEN ! SAT 47:          IF (MACHINE) THEN ! SAT
 59:             DO J2=1,3*NATOMS 48:             DO J2=1,3*NATOMS
 60:                SAVEPOINTS(J2)=LOCALPOINTS1(J2) 49:                SAVEPOINTS(J2)=LOCALPOINTS1(J2)
 61:             ENDDO 50:             ENDDO
 62:             CALL CHARMMDUMP(SAVEPOINTS,'points1.inp.'//TRIM(ADJUSTL(CONNSTR))) 51:             CALL CHARMMDUMP(SAVEPOINTS,'points1.inp.'//TRIM(ADJUSTL(CONNSTR)))
 63:          ELSE 52:          ELSE
 64:             DO J2=1,3*NATOMS 53:             DO J2=1,3*NATOMS
 65:                SAVEPOINTS(J2)=LOCALPOINTS1(J2) 54:                SAVEPOINTS(J2)=LOCALPOINTS1(J2)


legend
Lines Added 
Lines changed
 Lines Removed

hdiff - version: 2.1.0