- Timestamp:
- 11/19/09 11:29:48 (14 years ago)
- Branches:
- master
- Children:
- 7137e5d
- Parents:
- 32289cd
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
- Removed
-
dihedr.f
r32289cd r38d77eb 57 57 return 58 58 else 59 write (*,'(a,4i5)')' dihedr> Error in coordinates of atoms #: ' 59 write (logString, '(a,4i5)') 60 & ' dihedr> Error in coordinates of atoms #: ' 60 61 & ,i1,i2,i3,i4 61 62 62 write ( *,*) 'stored coordinates are xvals :',63 write (logString, *) 'stored coordinates are xvals :', 63 64 & xat(i1),xat(i2),xat(i3),xat(i4) 64 write ( *,*) 'yvals:', yat(i1),yat(i2),yat(i3),yat(i4)65 write ( *,*) 'zvals:', zat(i1),zat(i2),zat(i3),zat(i4)65 write (logString, *) 'yvals:', yat(i1),yat(i2),yat(i3),yat(i4) 66 write (logString, *) 'zvals:', zat(i1),zat(i2),zat(i3),zat(i4) 66 67 call outvar(0,'crash.var') 67 68 stop … … 110 111 111 112 else 112 write (*,'(a,3i5)')' valang> Error in coordinates of atoms #: ' 113 write (logString, '(a,3i5)') 114 & ' valang> Error in coordinates of atoms #: ' 113 115 & ,i1,i2,i3 114 write ( *,*) 'stored coordinates are xvals :',116 write (logString, *) 'stored coordinates are xvals :', 115 117 & xat(i1),xat(i2),xat(i3) 116 write ( *,*) 'yvals:', yat(i1),yat(i2),yat(i3)117 write ( *,*) 'zvals:', zat(i1),zat(i2),zat(i3)118 write (logString, *) 'yvals:', yat(i1),yat(i2),yat(i3) 119 write (logString, *) 'zvals:', zat(i1),zat(i2),zat(i3) 118 120 call outvar(0,'crash.var') 119 121 stop
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