hdiff output

r33543/keywords.f 2017-12-03 16:30:14.939381141 +0000 r33542/keywords.f 2017-12-03 16:30:15.195384530 +0000
2206:          ELSE IF (WORD.EQ.'CLOSESTALIGNMENT') THEN2206:          ELSE IF (WORD.EQ.'CLOSESTALIGNMENT') THEN
2207:             CLOSESTALIGNMENT=.TRUE.2207:             CLOSESTALIGNMENT=.TRUE.
2208:             WRITE(*,*) 'Putting structures into closest alignment, then stopping'2208:             WRITE(*,*) 'Putting structures into closest alignment, then stopping'
2209: ! 2209: ! 
2210: ! Dynamic adjustment of QCI spring constant.2210: ! Dynamic adjustment of QCI spring constant.
2211: ! 2211: ! 
2212:          ELSE IF (WORD.EQ.'QCIADJUSTK') THEN2212:          ELSE IF (WORD.EQ.'QCIADJUSTK') THEN
2213:             CALL READI(QCIKADJUSTFRQ)2213:             CALL READI(QCIKADJUSTFRQ)
2214:             CALL READF(QCIKADJUSTTOL)2214:             CALL READF(QCIKADJUSTTOL)
2215:             CALL READF(QCIKADJUSTFRAC)2215:             CALL READF(QCIKADJUSTFRAC)
2216:             CALL READF(QCIKINTMIN)2216:             WRITE(*,'(A,I10,2(A,G20.10),A)') ' keywords> Adjusting QCI spring constant every ',QCIKADJUSTFRQ,' steps by factor ',
2217:             CALL READF(QCIKINTMAX)2217:      &                                        QCIKADJUSTFRAC,' for spacing deviation ',QCIKADJUSTTOL,'%'
2218:             WRITE(*,'(A,I10,2(A,G20.10),A,2G15.5)') ' keywords> Adjusting QCI spring constant every ',QCIKADJUSTFRQ, 
2219:      &   ' steps by factor ',QCIKADJUSTFRAC,' for spacing deviation ',QCIKADJUSTTOL,'% min/max=',QCIKINTMIN,QCIKINTMAX 
2220: 2218: 
2221: ! 2219: ! 
2222: ! Check for internal minimum in constraint terms for INTCONSTRAINT2220: ! Check for internal minimum in constraint terms for INTCONSTRAINT
2223: ! 2221: ! 
2224:          ELSE IF (WORD.EQ.'QCIINTREPMINSEP') THEN2222:          ELSE IF (WORD.EQ.'QCIINTREPMINSEP') THEN
2225:             CALL READI(QCIINTREPMINSEP)2223:             CALL READI(QCIINTREPMINSEP)
2226:             WRITE(*,'(A,G20.10)') ' keywords> Minimum separation in atom index for internal minimum check in repulsion=',2224:             WRITE(*,'(A,G20.10)') ' keywords> Minimum separation in atom index for internal minimum check in repulsion=',
2227:      &                              QCIINTREPMINSEP  2225:      &                              QCIINTREPMINSEP  
2228: ! 2226: ! 
2229: ! Check for internal minimum in constraint terms for INTCONSTRAINT2227: ! Check for internal minimum in constraint terms for INTCONSTRAINT


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hdiff - version: 2.1.0