X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-NEWSC%2FCOMMON.ALLPARM;fp=source%2Fwham%2Fsrc-NEWSC%2FCOMMON.ALLPARM;h=62d1e47bb5ee427fe1424fab3d894487feaa1556;hb=d101c97dea752458d76055fdbae49c26fff03c1f;hp=0000000000000000000000000000000000000000;hpb=325eda160c9ad2982501e091ca40606a29043712;p=unres.git diff --git a/source/wham/src-NEWSC/COMMON.ALLPARM b/source/wham/src-NEWSC/COMMON.ALLPARM new file mode 100755 index 0000000..62d1e47 --- /dev/null +++ b/source/wham/src-NEWSC/COMMON.ALLPARM @@ -0,0 +1,99 @@ + double precision ww_all(max_ene,max_parm), + & vbldp0_all(max_parm),akp_all(max_parm), + & vbldsc0_all(maxbondterm,ntyp,max_parm), + & aksc_all(maxbondterm,ntyp,max_parm), + & abond0_all(maxbondterm,ntyp,max_parm), + & a0thet_all(ntyp,max_parm),athet_all(2,ntyp,max_parm), + & bthet_all(2,ntyp,max_parm),polthet_all(0:3,ntyp,max_parm), + & gthet_all(3,ntyp,max_parm),theta0_all(ntyp,max_parm), + & sig0_all(ntyp,max_parm),sigc0_all(ntyp,max_parm), + & aa0thet_all(maxthetyp1,maxthetyp1,maxthetyp1,max_parm), + & aathet_all(maxtheterm,maxthetyp1,maxthetyp1,maxthetyp1,max_parm), + & bbthet_all(maxsingle,maxtheterm2,maxthetyp1,maxthetyp1, + & maxthetyp1,max_parm), + & ccthet_all(maxsingle,maxtheterm2,maxthetyp1,maxthetyp1, + & maxthetyp1,max_parm), + & ddthet_all(maxsingle,maxtheterm2,maxthetyp1,maxthetyp1, + & maxthetyp1,max_parm), + & eethet_all(maxsingle,maxtheterm2,maxthetyp1,maxthetyp1, + & maxthetyp1,max_parm), + & ffthet_all(maxdouble,maxdouble,maxtheterm3,maxthetyp1,maxthetyp1, + & maxthetyp1,max_parm), + & ggthet_all(maxdouble,maxdouble,maxtheterm3,maxthetyp1,maxthetyp1, + & maxthetyp1,max_parm), + & dsc_all(ntyp1,max_parm),bsc_all(maxlob,ntyp,max_parm), + & censc_all(3,maxlob,ntyp,max_parm), + & gaussc_all(3,3,maxlob,ntyp,max_parm),dsc0_all(ntyp1,max_parm), + & sc_parmin_all(65,ntyp,max_parm), + & v0_all(maxtor,maxtor,max_parm), + & v1_all(maxterm,maxtor,maxtor,max_parm), + & v2_all(maxterm,maxtor,maxtor,max_parm), + & vlor1_all(maxlor,maxtor,maxtor,max_parm), + & vlor2_all(maxlor,maxtor,maxtor,max_parm), + & vlor3_all(maxlor,maxtor,maxtor,max_parm), + & v1c_all(2,maxtermd_1,maxtor,maxtor,maxtor,max_parm), + & v1s_all(2,maxtermd_1,maxtor,maxtor,maxtor,max_parm), + & v2c_all(maxtermd_2,maxtermd_2,maxtor,maxtor,maxtor,max_parm), + & v2s_all(maxtermd_2,maxtermd_2,maxtor,maxtor,maxtor,max_parm), + & b1_all(2,maxtor,max_parm),b2_all(2,maxtor,max_parm), + & cc_all(2,2,maxtor,max_parm),dd_all(2,2,maxtor,max_parm), + & ee_all(2,2,maxtor,max_parm),ctilde_all(2,2,maxtor,max_parm), + & dtilde_all(2,2,maxtor,max_parm),b1tilde_all(2,maxtor,max_parm), + & app_all(2,2,max_parm),bpp_all(2,2,max_parm), + & ael6_all(2,2,max_parm),ael3_all(2,2,max_parm), + & aad_all(ntyp,2,max_parm),bad_all(ntyp,2,max_parm), + & aa_all(ntyp,ntyp,max_parm),bb_all(ntyp,ntyp,max_parm), + & augm_all(ntyp,ntyp,max_parm),eps_all(ntyp,ntyp,max_parm), + & sigma_all(ntyp,ntyp,max_parm),r0_all(ntyp,ntyp,max_parm), + & chi_all(ntyp,ntyp,max_parm),chip_all(ntyp,max_parm), + & chipp_all(ntyp,ntyp,max_parm),sigmap1_all(ntyp,ntyp,max_parm), + & sigmap2_all(ntyp,ntyp,max_parm),chis_all(ntyp,ntyp,max_parm), + & alphasur_all(4,ntyp,ntyp,max_parm), + & wstate_all(4,ntyp,ntyp,max_parm), + & nstate_all(ntyp,ntyp,max_parm), + & dhead_all(2,2,ntyp,ntyp,max_parm), + & dtail_all(2,ntyp,ntyp,max_parm), + & epshead_all(ntyp,ntyp,max_parm), + & rborn_all(ntyp,ntyp,max_parm), + & wqdip_all(2,ntyp,ntyp,max_parm),wquad_all(ntyp,ntyp,max_parm), + & alphapol_all(ntyp,ntyp,max_parm), + & alphiso_all(4,ntyp,ntyp,max_parm), + & sigiso1_all(ntyp,ntyp,max_parm), + & sigiso2_all(ntyp,ntyp,max_parm), + & epsintab_all(ntyp,ntyp,max_parm), + & alp_all(ntyp,max_parm),ebr_all(max_parm),d0cm_all(max_parm), + & akcm_all(max_parm),akth_all(max_parm),akct_all(max_parm), + & v1ss_all(max_parm),v2ss_all(max_parm),v3ss_all(max_parm), + & v1sccor_all(maxterm_sccor,3,ntyp,ntyp,max_parm), + & v2sccor_all(maxterm_sccor,3,ntyp,ntyp,max_parm) + integer nlob_all(ntyp1,max_parm),nlor_all(maxtor,maxtor,max_parm), + & nterm_all(maxtor,maxtor,max_parm), + & ntermd1_all(maxtor,maxtor,maxtor,max_parm), + & ntermd2_all(maxtor,maxtor,maxtor,max_parm), + & nbondterm_all(ntyp,max_parm),nthetyp_all(max_parm), + & ithetyp_all(ntyp1,max_parm),ntheterm_all(max_parm), + & ntheterm2_all(max_parm),ntheterm3_all(max_parm), + & nsingle_all(max_parm),ndouble_all(max_parm), + & nntheterm_all(max_parm),nterm_sccor_all(ntyp,ntyp,max_parm) + common /allparm/ ww_all,vbldp0_all,akp_all,vbldsc0_all,aksc_all, + & abond0_all,aa0thet_all,aathet_all,bbthet_all,ccthet_all, + & ddthet_all,eethet_all,ffthet_all,ggthet_all, + & a0thet_all,athet_all,bthet_all,polthet_all,gthet_all,theta0_all, + & sig0_all,sigc0_all,dsc_all,bsc_all,censc_all,gaussc_all,dsc0_all, + & sc_parmin_all, + & v0_all,v1_all,v2_all,vlor1_all,vlor2_all,vlor3_all,v1c_all, + & v1s_all,v2c_all,v2s_all,b1_all,b2_all,cc_all,dd_all,ee_all, + & ctilde_all,dtilde_all,b1tilde_all,app_all,bpp_all,ael6_all, + & ael3_all,aad_all,bad_all,aa_all,bb_all,augm_all, + & eps_all,sigma_all,r0_all,chi_all,chipp_all,sigmap1_all, + & sigmap2_all, + & chis_all,alphasur_all,wstate_all,dhead_all,dtail_all, + & epshead_all, + & rborn_all,wqdip_all,wquad_all,alphapol_all,alphiso_all, + & sigiso1_all, + & sigiso2_all,epsintab_all,chip_all,alp_all,ebr_all, + & d0cm_all,akcm_all,akth_all,akct_all,v1ss_all,v2ss_all,v3ss_all, + & v1sccor_all,v2sccor_all,nbondterm_all, + & nlob_all,nlor_all,nterm_all,ntermd1_all,ntermd2_all, + & nthetyp_all,ithetyp_all,ntheterm_all,ntheterm2_all,ntheterm3_all, + & nsingle_all,ndouble_all,nntheterm_all,nterm_sccor_all,nstate_all