esccor=enetb(19,t,iparm)
edihcnstr=enetb(20,t,iparm)
C edihcnstr=0.0d0
- eliptran=enetb(22,i,iparm)
- etube=enetb(25,i,iparm)
+ eliptran=enetb(22,t,iparm)
+ etube=enetb(25,t,iparm)
do k=0,nGridT
betaT=startGridT+k*delta_T
endif
#endif
+#ifdef MPI
+ do ib=1,nT_h(iparm)
+ potEmin=potEmin_all(ib,iparm)
+ expfac=dexp(-beta_h(ib,iparm)*(etot-potEmin)+entfac(t))
+ hfin_p(ind,ib)=hfin_p(ind,ib)+
+ & dexp(-beta_h(ib,iparm)*(etot-potEmin)+entfac(t))
+ if (rmsrgymap) then
+ indrgy=dint((q(nQ+2,t)-rgymin)/deltrgy)
+ indrms=dint((q(nQ+1,t)-rmsmin)/deltrms)
+ hrmsrgy_p(indrgy,indrms,ib)=
+ & hrmsrgy_p(indrgy,indrms,ib)+expfac
+ endif
+ enddo
+#else
+ do ib=1,nT_h(iparm)
+ potEmin=potEmin_all(ib,iparm)
+ expfac=dexp(-beta_h(ib,iparm)*(etot-potEmin)+entfac(t))
+ hfin(ind,ib)=hfin(ind,ib)+
+ & dexp(-beta_h(ib,iparm)*(etot-potEmin)+entfac(t))
+ if (rmsrgymap) then
+ indrgy=dint((q(nQ+2,t)-rgymin)/deltrgy)
+ indrms=dint((q(nQ+1,t)-rmsmin)/deltrms)
+ hrmsrgy(indrgy,indrms,ib)=
+ & hrmsrgy(indrgy,indrms,ib)+expfac
+ endif
+ enddo
+#endif
+
weight=dexp(-betaT*(etot-potEmin)+entfac(t))
#ifdef DEBUG
write (iout,*) "iparm",iparm," t",t," betaT",betaT,
if (indE.gt.upindE_p) upindE_p=indE
histE_p(indE)=histE_p(indE)+dexp(-entfac(t))
endif
-#ifdef MPI
- do ib=1,nT_h(iparm)
- potEmin=potEmin_all(ib,iparm)
- expfac=dexp(-beta_h(ib,iparm)*(etot-potEmin)+entfac(t))
- hfin_p(ind,ib)=hfin_p(ind,ib)+
- & dexp(-beta_h(ib,iparm)*(etot-potEmin)+entfac(t))
- if (rmsrgymap) then
- indrgy=dint((q(nQ+2,t)-rgymin)/deltrgy)
- indrms=dint((q(nQ+1,t)-rmsmin)/deltrms)
- hrmsrgy_p(indrgy,indrms,ib)=
- & hrmsrgy_p(indrgy,indrms,ib)+expfac
- endif
- enddo
-#else
- do ib=1,nT_h(iparm)
- potEmin=potEmin_all(ib,iparm)
- expfac=dexp(-beta_h(ib,iparm)*(etot-potEmin)+entfac(t))
- hfin(ind,ib)=hfin(ind,ib)+
- & dexp(-beta_h(ib,iparm)*(etot-potEmin)+entfac(t))
- if (rmsrgymap) then
- indrgy=dint((q(nQ+2,t)-rgymin)/deltrgy)
- indrms=dint((q(nQ+1,t)-rmsmin)/deltrms)
- hrmsrgy(indrgy,indrms,ib)=
- & hrmsrgy(indrgy,indrms,ib)+expfac
- endif
- enddo
-#endif
+!#ifdef MPI
+! do ib=1,nT_h(iparm)
+! potEmin=potEmin_all(ib,iparm)
+! expfac=dexp(-beta_h(ib,iparm)*(etot-potEmin)+entfac(t))
+! hfin_p(ind,ib)=hfin_p(ind,ib)+
+! & dexp(-beta_h(ib,iparm)*(etot-potEmin)+entfac(t))
+! if (rmsrgymap) then
+! indrgy=dint((q(nQ+2,t)-rgymin)/deltrgy)
+! indrms=dint((q(nQ+1,t)-rmsmin)/deltrms)
+! hrmsrgy_p(indrgy,indrms,ib)=
+! & hrmsrgy_p(indrgy,indrms,ib)+expfac
+! endif
+! enddo
+!#else
+! do ib=1,nT_h(iparm)
+! potEmin=potEmin_all(ib,iparm)
+! expfac=dexp(-beta_h(ib,iparm)*(etot-potEmin)+entfac(t))
+! hfin(ind,ib)=hfin(ind,ib)+
+! & dexp(-beta_h(ib,iparm)*(etot-potEmin)+entfac(t))
+! if (rmsrgymap) then
+! indrgy=dint((q(nQ+2,t)-rgymin)/deltrgy)
+! indrms=dint((q(nQ+1,t)-rmsmin)/deltrms)
+! hrmsrgy(indrgy,indrms,ib)=
+! & hrmsrgy(indrgy,indrms,ib)+expfac
+! endif
+! enddo
+!#endif
enddo ! t
do ib=1,nT_h(iparm)
if (histout) call MPI_Reduce(hfin_p(0,ib),hfin(0,ib),nbin,