Changeset 38d77eb for mulcan_par.f
- Timestamp:
- 11/19/09 11:29:48 (14 years ago)
- Branches:
- master
- Children:
- 7137e5d
- Parents:
- 32289cd
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
- Removed
-
mulcan_par.f
r32289cd r38d77eb 83 83 ! 84 84 eol = energy() 85 write ( *,'(a,e12.5,/)') 'Energy of start configuration: ',eol86 write (*,*)85 write (logString, '(a,e12.5,/)') 'Energy of start configuration: ',eol 86 write (logString, *) 87 87 88 88 call outpdb(1, 'start.pdb') … … 100 100 muold = int(min(xmax,max(xmin,eol/ebin+sign(0.5d0,eol)))) 101 101 ihist(muold) = ihist(muold) + 1 102 write ( *,*) nsw, eol, acz102 write (logString, *) nsw, eol, acz 103 103 ! 104 104 ! ITERATE MULTICANONICAL WEIGHTS EVERY NUP SWEEPS … … 143 143 ! FINAL OUTPUT: 144 144 acz = acz/dble(nsw*nvr) 145 write (*,*) 'last energy',eol146 write (*,*) 'aczeptance rate:',acz145 write (logString, *) 'last energy',eol 146 write (logString, *) 'aczeptance rate:',acz 147 147 ! 148 148 ! OUTPUT OF FINAL HISTOGRAM 149 149 ! 150 write (*,*) 'Histogram:'150 write (logString, *) 'Histogram:' 151 151 do i=kmin,kmax 152 152 if(xhist(i).gt.0.0d0) then 153 write (*,*) i,xhist(i)153 write (logString, *) i,xhist(i) 154 154 end if 155 155 end do
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