- Timestamp:
- 11/19/09 11:29:48 (14 years ago)
- Branches:
- master
- Children:
- 7137e5d
- Parents:
- 32289cd
- File:
-
- 1 edited
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enysol.f
r32289cd r38d77eb 30 30 ! functions 31 31 integer nursat 32 32 33 33 34 integer numbox, inbox, indsort, look, i, ii, ia, ib, ibox, icount … … 157 158 numbox(j)=nboxj 158 159 if (nboxj.gt.mxbox) then 159 write(*,'(a)') 'enysol> bad mxboxe-2' 160 write(*,*) 'diagnostics ...' 161 write(*,*) 'atom ',j 162 write(*,*) 'position ',xat(j),yat(j),zat(j) 163 write(*,*) 'box indices ',mx,my,mz 164 write(*,*) 'resulting boxindex and limit ',nboxj,mxbox 160 write (logString, '(a)') 'enysol> bad mxboxe-2' 161 write (logString, *) 'diagnostics ...' 162 write (logString, *) 'atom ',j 163 write (logString, *) 'position ',xat(j),yat(j),zat(j) 164 write (logString, *) 'box indices ',mx,my,mz 165 write (logString, *) 'resulting boxindex and limit ', 166 & nboxj,mxbox 165 167 166 168 stop … … 350 352 351 353 read(lin(1:5),'(i5)') npnt 352 ! write (*,'(a,i5)') 'the number of points---->',npnt354 ! write (logString, '(a,i5)') 'the number of points---->',npnt 353 355 354 356 ! Read the surface points
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