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molecule.duplicated: flush to trace the progress
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nfaguirrec committed Mar 29, 2019
1 parent 8a1d988 commit 2906349
Showing 1 changed file with 6 additions and 0 deletions.
6 changes: 6 additions & 0 deletions examples/molecule.duplicate.f90
Original file line number Diff line number Diff line change
Expand Up @@ -131,11 +131,13 @@ program main
removed = .false.

write(*,"(A)",advance="no") "Loading molecules "
call flush(6)

do i=1,ifile.numberOfLines

if( mod(i,int(ifile.numberOfLines/10.0_8)) == 0 ) then
write(*,"(A)",advance="no") "."
call flush(6)
end if

fileNames(i) = trim(ifile.readLine())
Expand All @@ -148,17 +150,20 @@ program main
end do

write(*,"(A)") " OK"
call flush(6)

allocate( cFormula(size(molecules)) )
allocate( gDescriptors(15,size(molecules)) )
allocate( cDescriptors( 9,size(molecules)) )

write(*,"(A)",advance="no") "Calculating descriptors "
call flush(6)

do i=1,size(molecules)

if( mod(i,int(ifile.numberOfLines/10.0_8)) == 0 ) then
write(*,"(A)",advance="no") "."
call flush(6)
end if

cFormula(i) = molecules(i).chemicalFormula()
Expand All @@ -169,6 +174,7 @@ program main

write(*,"(A)") " OK"
write(*,*) ""
call flush(6)

do i=1,size(molecules)-1
if( .not. removed(i) ) then
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