*ident up_thermr */ thermr - M. Mattes/IKE ---------------------------------------mm */ increase array size for IKE evaluations *d thermr.101 dimension a(800000) *d thermr.131 namax=800000 */ */ fix reading long TAB1 records *i thermr.1543 ll=loc do while (nb.ne.0) ll=ll+nw call moreio(nendf,0,0,a(ll),nb,nw) enddo *i thermr.1602 ll=loc do while (nb.ne.0) ll=ll+nw call moreio(nendf,0,0,a(ll),nb,nw) enddo */ */ ------------------------------------------------------------mm */ident up2_thermr */ maximum.energy transfer at higher temperatures (print only) *i thermr.1622 if (lat.eq.1) tmax=tmax*tevz/(bk*temp) */ ---------------------------------------------------end up2_thermr *ident up3_thermr */ more incident energies necessary for ZrH for an adequate */ represention of the neutron scattering xs in comparison */ with experimental results (.1 < E_i < 1 eV) *d thermr.1422,thermr.1423 dimension egrid(79) dimension ubar(79) *d thermr.1427 data ngrid/79/ *d thermr.1433,thermr.1436 & .030613d0,.042757d0,.056925d0,.081972d0, * .1d0, .111573d0, .12d0, .13d0, .145728d0, .16d0, .17d0, & .184437d0, * .195d0, .2277d0, .24d0, .2510392d0,.2705304d0,.2907501d0, & .3011332d0,.3206421d0,.3576813d0, * .38d0, .4d0, .4170351d0, .44d0, .48d0, .5032575d0, .53d0, & .56d0, .59d0, .6249328d0, .65d0, .69d0, .72d0, .75d0, * .7821141d0, .82d0, .89d0, .9506956d0,1.0137432d0,1.1664337d0, *d thermr.1455,thermr.1458 & .030613e0,.042757e0,.056925e0,.081972e0, * .1e0, .111573e0, .12e0, .13e0, .145728e0, .16e0, .17e0, & .184437e0, * .195e0, .2277e0, .24e0, .2510392e0,.2705304e0,.2907501e0, & .3011332e0,.3206421e0,.3576813e0, * .38e0, .4e0, .4170351e0, .44e0, .48e0, .5032575e0, .53e0, & .56e0, .59e0, .6249328e0, .65e0, .69e0, .72e0, .75e0, * .7821141e0, .82e0, .89e0, .9506956e0,1.0137432e0,1.1664337e0, */ */ --------------------------------------------------end up3_thermr *ident up1_leapr */ */ if number(>200) for alpha and/or beta values then */ increase array sizes plus working buffers */ e.g. beta(200) -> beta(400) for H2O *d leapr.164 common/ab/nalpha,nbeta,naint,nbint,alpha(200),beta(400) *d leapr.173 common/lstore/a(7500000) *d leapr.178 data nbmax,namax/400,200/ *d leapr.189 maxa=7500000 *d leapr.391 mscr=4000 *d leapr.420 common/ab/nalph1,nbeta1,naint,nbint,alph1(200),beta1(400) *d leapr.426 dimension maxt(400) *d leapr.794 common/ab/nalpha,nbeta,naint,nbint,alpha(200),beta1(400) *d leapr.1252 common/ab/nalpha1,nbeta1,naint,nbint,alpha(200),beta1(400) *d leapr.1852 common/ab/nalph1,nbeta1,naint,nbint,alpha(200),beta1(400) */ */ IKE evaluation of H(H2O) creates more pairs of alpha */ and S(alpha,beta) than npage *i leapr.3122 l_mm=1+nw do while (nb.ne.0) call moreio(0,nout,nprnt,scr(l_mm),nb,nw) l_mm=l_mm+nw enddo */ -------------------------------------------------end up1_leapr *ident up2_leapr */ for H(H2O), D(D2O) NS should be equal 1 *d leapr.2976,2977 if(nss.gt.0) scr(5)=6*(nss+1) scr(6)=nss */ -------------------------------------------------end up2_leapr *ident up3_leapr */ T-eff calculation *d leapr.1557 tempf(itemp)=(tbeta+twt)*tempf(itemp)+tsave */ -------------------------------------------------end up3_leapr *ident up4_leapr */ generation of more than 10 temperatures *d leapr.166,167 common/te/tempr(20),tempf(20),tempf1(20) common/dw/dwpix(20),dwp1(20) *d leapr.179 data ntmax/20/ *d leapr.600,601 common/te/tempr(20),tempf(20),tempf1(20) common/dw/dwpix(20),dwp1(20) *d leapr.797 common/te/tempr(20),tempf(20),tempf1(20) *d leapr.1256 common/te/tempr(20),tempf(20),tempf1(20) *d leapr.1258 common/dw/dwpix(20),dwp1(20) *d leapr.1856 common/te/tempr(20),tempf(20),tempf1(20) *d leapr.2651.2652 common/te/tempr(20),tempf(20),tempf1(20) common/dw/dbw(20),dbw1(20) */ --------------------------------------------------end up4_leapr *ident up5_leapr */ correct directory *i leapr.2797 scr(5)=scr(5)+1 if(iel.ne.0) scr(5)=scr(5)+1 */ --------------------------------------------------end up5_leapr */ *ident up_acer */ id-name of thermal data set with 6 characters else blank *i acer.358 if (nch.eq.0) nch=6 */ */ more than 64 bins wt(65) *d acer.13079 dimension wt(401) */ */ increase of scratch buffer (?) *d acer.13098 ninmax=8000 */ */ ------------------------------------------------jan05------end