X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2Fwham_calc1.F;h=a15186d7fe2c977c5e114543305e3fe3201a4c65;hb=c131b73555ef3436ee4f01794133097fd341d3b6;hp=41f42bc41334f38200099d11ad01cfc751e0e007;hpb=9e9f8ac5d9fb1abbf39cab7f2a3293bbe991a8d4;p=unres.git diff --git a/source/wham/src/wham_calc1.F b/source/wham/src/wham_calc1.F index 41f42bc..a15186d 100644 --- a/source/wham/src/wham_calc1.F +++ b/source/wham/src/wham_calc1.F @@ -1444,9 +1444,16 @@ c write (iout,*) "i",i," potEmin",potEmin 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,*) enddo close(34)