& 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),
+ & a0thet_all(-ntyp:ntyp,max_parm),
+ & athet_all(2,-ntyp:ntyp,-1:1,-1:1,max_parm),
+ & bthet_all(2,-ntyp:ntyp,-1:1,-1:1,max_parm),
+ & polthet_all(0:3,-ntyp:ntyp,max_parm),
+ & gthet_all(3,-ntyp:ntyp,max_parm),theta0_all(-ntyp:ntyp,max_parm),
+ & sig0_all(-ntyp:ntyp,max_parm),sigc0_all(-ntyp:ntyp,max_parm),
+ & aa0thet_all(-maxthetyp1:maxthetyp1,-maxthetyp1:maxthetyp1,
+ & -maxthetyp1:maxthetyp1,2,max_parm),
+ & aathet_all(maxtheterm,-maxthetyp1:maxthetyp1,
+ & -maxthetyp1:maxthetyp1,-maxthetyp1:maxthetyp1,2,max_parm),
+ & bbthet_all(maxsingle,maxtheterm2,-maxthetyp1:maxthetyp1,
+ & -maxthetyp1:maxthetyp1,-maxthetyp1:maxthetyp1,2,max_parm),
+ & ccthet_all(maxsingle,maxtheterm2,-maxthetyp1:maxthetyp1,
+ &-maxthetyp1:maxthetyp1,
+ & -maxthetyp1:maxthetyp1,2,max_parm),
+ & ddthet_all(maxsingle,maxtheterm2,-maxthetyp1:maxthetyp1,
+ & -maxthetyp1:maxthetyp1,
+ & -maxthetyp1:maxthetyp1,2,max_parm),
+ & eethet_all(maxsingle,maxtheterm2,-maxthetyp1:maxthetyp1,
+ & -maxthetyp1:maxthetyp1,
+ & -maxthetyp1:maxthetyp1,2,max_parm),
+ & ffthet_all1(maxdouble,maxdouble,maxtheterm3,
+ & -maxthetyp1:maxthetyp1,-maxthetyp1:maxthetyp1,
+ & -maxthetyp1:maxthetyp1,max_parm),
+ & ggthet_all1(maxdouble,maxdouble,maxtheterm3,
+ & -maxthetyp1:maxthetyp1,-maxthetyp1:maxthetyp1,
+ & -maxthetyp1:maxthetyp1,max_parm),
+ & ffthet_all2(maxdouble,maxdouble,maxtheterm3,
+ & -maxthetyp1:maxthetyp1,-maxthetyp1:maxthetyp1,
+ & -maxthetyp1:maxthetyp1,max_parm),
+ & ggthet_all2(maxdouble,maxdouble,maxtheterm3,
+ & -maxthetyp1:maxthetyp1,-maxthetyp1: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),
+ & censc_all(3,maxlob,-ntyp:ntyp,max_parm),
+ & gaussc_all(3,3,maxlob,-ntyp: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),
+ & v0_all(-maxtor:maxtor,-maxtor:maxtor,2,max_parm),
+ & v1_all(maxterm,-maxtor:maxtor,-maxtor:maxtor,2,max_parm),
+ & v2_all(maxterm,-maxtor:maxtor,-maxtor:maxtor,2,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),
+ & v1c_all(2,maxtermd_1,-maxtor:maxtor,-maxtor:maxtor,
+ & -maxtor:maxtor,2,max_parm),
+ & v1s_all(2,maxtermd_1,-maxtor:maxtor,-maxtor:maxtor,
+ & -maxtor:maxtor,2,max_parm),
+ & v2c_all(maxtermd_2,maxtermd_2,-maxtor:maxtor,
+ & -maxtor:maxtor,-maxtor:maxtor,2,max_parm),
+ & v2s_all(maxtermd_2,maxtermd_2,-maxtor:maxtor,-maxtor:maxtor,
+ & -maxtor:maxtor,2,max_parm),
+ & b1_all(2,-maxtor:maxtor,max_parm),
+ & b2_all(2,-maxtor:maxtor,max_parm),
+ & cc_all(2,2,-maxtor:maxtor,max_parm),
+ & dd_all(2,2,-maxtor:maxtor,max_parm),
+ & ee_all(2,2,-maxtor:maxtor,max_parm),
+ & ctilde_all(2,2,-maxtor:maxtor,max_parm),
+ & dtilde_all(2,2,-maxtor:maxtor,max_parm),
+ & b1tilde_all(2,-maxtor: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),
+ & aa_aq_all(ntyp,ntyp,max_parm),bb_aq_all(ntyp,ntyp,max_parm),
+ & aa_lip_all(ntyp,ntyp,max_parm),bb_lip_all(ntyp,ntyp,max_parm),
& augm_all(ntyp,ntyp,max_parm),eps_all(ntyp,ntyp,max_parm),
+ & epslip_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),
& 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,ntyp,ntyp,max_parm),
- & v2sccor_all(maxterm_sccor,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),
+ & v1sccor_all(maxterm_sccor,3,-ntyp:ntyp,-ntyp:ntyp,max_parm),
+ & v2sccor_all(maxterm_sccor,3,-ntyp:ntyp,-ntyp:ntyp,max_parm)
+ integer nlob_all(ntyp1,max_parm),
+ & nlor_all(-maxtor:maxtor,-maxtor:maxtor,2,max_parm),
+ & nterm_all(-maxtor:maxtor,-maxtor:maxtor,2,max_parm),
+ & ntermd1_all(-maxtor:maxtor,-maxtor:maxtor,
+ & -maxtor:maxtor,2,max_parm),
+ & ntermd2_all(-maxtor:maxtor,-maxtor:maxtor,
+ & -maxtor:maxtor,2,max_parm),
& nbondterm_all(ntyp,max_parm),nthetyp_all(max_parm),
- & ithetyp_all(ntyp1,max_parm),ntheterm_all(max_parm),
+ & ithetyp_all(-ntyp1: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(max_parm)
+ & nntheterm_all(max_parm),
+ &nterm_sccor_all(-ntyp:ntyp,-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,
+ & ddthet_all,eethet_all,ffthet_all1,ggthet_all1,
+ & ffthet_all2,ggthet_all2,
& 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,
+ & ael3_all,aad_all,bad_all,aa_aq_all,bb_aq_all,augm_all,
+ & aa_lip_all,bb_lip_all,epslip_all,
& eps_all,sigma_all,r0_all,chi_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,
projects / unres.git / blobdiff