diff --git a/src/cafe/cf_common.fh b/src/cafe/cf_common.fh index 443f0d5f51..0f020292ea 100644 --- a/src/cafe/cf_common.fh +++ b/src/cafe/cf_common.fh @@ -1,4 +1,4 @@ -c $Id: cf_common.fh,v 1.35 2002-08-09 22:16:13 d3j191 Exp $ +c $Id: cf_common.fh,v 1.36 2002-08-13 02:54:31 d3j191 Exp $ c real*8 zero,tiny,small real*8 fourth,third,half,one,two,three,four,six,twelve @@ -95,7 +95,7 @@ c + i_pmew,l_pmew,i_pmes,l_pmes, + i_theta,l_theta,i_dtheta,l_dtheta, + i_ipmf,l_ipmf,i_jpmf,l_jpmf,i_rpmf,l_rpmf,i_xpmf,l_xpmf, - + i_ypmf,l_ypmf,i_wpmf,l_wpmf + + i_ypmf,l_ypmf,i_wpmf,l_wpmf,i_upmf,l_upmf c integer ntype,npbtyp,nbxtyp,iqmmm,lstype,icntrl integer ngc,ngl,nfrdf,ifstep,ngrww,ireact,iset,npener diff --git a/src/cafe/cf_init.F b/src/cafe/cf_init.F index 8c6d6dd24e..39c41ec50f 100644 --- a/src/cafe/cf_init.F +++ b/src/cafe/cf_init.F @@ -6,7 +6,7 @@ + sclq,iislow,tempi,tempwi,tempsi,compr,ntyp,idset,ipset1,ipset2, + issscl,delta,nfanal,lpbc,npgi,fldi,fvec,ffrq,npenrg,ictrl,nbiasi, + mropti,incl,ltwn) -c $Id: cf_init.F,v 1.80 2002-08-09 22:16:13 d3j191 Exp $ +c $Id: cf_init.F,v 1.81 2002-08-13 02:54:31 d3j191 Exp $ implicit none c #include "cf_common.fh" @@ -379,6 +379,7 @@ c + (rpmf(j,1,i),rpmf(j,3,i),j=1,2), + (ipmf(i,j),j=2,5),ipmf(i,8) 1000 format(3i5,2f12.6,2e12.5,5i5) + if(ipmf(i,8).eq.0) ipmf(i,8)=1 if(ipmf(i,6).ne.0) nbias=nbias+1 do 2 j=1,2 rpmf(j,2,i)=rpmf(j,1,i) @@ -425,7 +426,7 @@ c endif c call ga_sync() - call ga_brdcst(mcf_60,ipmf,7*numpmf*lenint,0) + call ga_brdcst(mcf_60,ipmf,8*numpmf*lenint,0) call ga_brdcst(mcf_61,jpmf,4*numpmf*npmfa*lenint,0) call ga_brdcst(mcf_62,rpmf,18*numpmf*lendbl,0) if(ithint) call ga_brdcst(mcf_30,ith,24*lenlog,0)