X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-M%2Fwham_calc1.F;h=1632a6f370c68bee54bc9bead31b9af71077ce85;hb=9e9f8ac5d9fb1abbf39cab7f2a3293bbe991a8d4;hp=536dae62469de31e82abc289f15c03a88a4c3912;hpb=7dd2a0723a7ee82fbdde6aecb5cbbf488130becb;p=unres.git diff --git a/source/wham/src-M/wham_calc1.F b/source/wham/src-M/wham_calc1.F index 536dae6..1632a6f 100644 --- a/source/wham/src-M/wham_calc1.F +++ b/source/wham/src-M/wham_calc1.F @@ -1404,9 +1404,16 @@ c write (iout,*) "ftbis",ftbis write (iout,*) write (34,'(f7.1,2f15.5,$)') startGridT+i*delta_T, & sumW(i,iparm),sumE(i,iparm) - write (34,'(f10.5,$)') (sumQ(j,i,iparm),j=1,nQ+2) - write (34,'(e15.5,$)') sumEsq(i,iparm)-sumEbis(i,iparm), - & (sumQsq(j,i,iparm),j=1,nQ+2),(sumEQ(j,i,iparm),j=1,nQ+2) + do j=1,nQ+2 + write (34,'(f10.5,$)') sumQ(j,i,iparm) + enddo + write (34,'(e15.5,$)') sumEsq(i,iparm)-sumEbis(i,iparm) + do j=1,nQ+2 + write (34,'(e15.5,$)') sumQsq(j,i,iparm) + enddo + do j=1,nQ+2 + write (34,'(e15.5,$)') sumEQ(j,i,iparm) + enddo write (34,*) call flush(34) enddo