X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M-newcorr%2Fcheck_sc_distr.f;fp=source%2Funres%2Fsrc_MD-M-newcorr%2Fcheck_sc_distr.f;h=db2ed1bb4c9847f60fbc5824cc26cfeb75025fc6;hb=7308760ff07636ef6b1ee28d8c3a67a23c14b34b;hp=0000000000000000000000000000000000000000;hpb=9a54ab407f6d0d9d564d52763b3e2136450b9ffc;p=unres.git diff --git a/source/unres/src_MD-M-newcorr/check_sc_distr.f b/source/unres/src_MD-M-newcorr/check_sc_distr.f new file mode 100644 index 0000000..db2ed1b --- /dev/null +++ b/source/unres/src_MD-M-newcorr/check_sc_distr.f @@ -0,0 +1,43 @@ + subroutine check_sc_distr + implicit real*8 (a-h,o-z) + include 'DIMENSIONS' + include 'COMMON.TIME1' + include 'COMMON.INTERACT' + include 'COMMON.NAMES' + include 'COMMON.GEO' + include 'COMMON.HEADER' + include 'COMMON.CONTROL' + logical fail + double precision varia(maxvar) + double precision hrtime,mintime,sectime + parameter (MaxSample=10000000,delt=1.0D0/MaxSample) + dimension prob(0:72,0:90) + dV=2.0D0*5.0D0*deg2rad*deg2rad + print *,'dv=',dv + do 10 it=1,1 + if (it.eq.10) goto 10 + open (20,file=restyp(it)//'_distr.sdc',status='unknown') + call gen_side(it,90.0D0*deg2rad,al,om,fail) + close (20) + goto 10 + open (20,file=restyp(it)//'_distr1.sdc',status='unknown') + do i=0,90 + do j=0,72 + prob(j,i)=0.0D0 + enddo + enddo + do isample=1,MaxSample + call gen_side(it,90.0D0*deg2rad,al,om) + indal=rad2deg*al/2 + indom=(rad2deg*om+180.0D0)/5 + prob(indom,indal)=prob(indom,indal)+delt + enddo + do i=45,90 + do j=0,72 + write (20,'(2f10.3,1pd15.5)') 2*i+0.0D0,5*j-180.0D0, + & prob(j,i)/dV + enddo + enddo + 10 continue + return + end