X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-M%2FCOMMON.ALLPARM;h=4c9a01836fbb592ae342a67cdbd257463c57783d;hb=3509d76c6e5552809caea3484f5889a2e51a011a;hp=ba107a61f23b4ac86fa720510d5188cbf66fe852;hpb=56c864c8f0df10ada39d6e0cda4d8d8ed5bfa78d;p=unres.git diff --git a/source/wham/src-M/COMMON.ALLPARM b/source/wham/src-M/COMMON.ALLPARM index ba107a6..4c9a018 100644 --- a/source/wham/src-M/COMMON.ALLPARM +++ b/source/wham/src-M/COMMON.ALLPARM @@ -49,17 +49,21 @@ & 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), & 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,