X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2FCOMMON.SCCOR;h=623bbad369201b5d9a66a6705fc2688385bd540d;hb=34d3ad3987785642be58fb2f26557d3314215577;hp=395e4e2872bf15bac67aef12a041d11ec99df82f;hpb=f690e8b70bab14132839afebf080d4a28363b226;p=unres.git diff --git a/source/unres/src_MD/COMMON.SCCOR b/source/unres/src_MD/COMMON.SCCOR index 395e4e2..623bbad 100644 --- a/source/unres/src_MD/COMMON.SCCOR +++ b/source/unres/src_MD/COMMON.SCCOR @@ -1,17 +1,20 @@ cc Parameters of the SCCOR term double precision v1sccor,v2sccor,vlor1sccor, - & vlor2sccor,vlor3sccor,gloc_sc, - & dcostau,dsintau,dtauangle,dcosomicron, - & domicron + & vlor2sccor,vlor3sccor,v0sccor +C,gloc_sc, +C & dcostau,dsintau,dtauangle,dcosomicron, +C & domicron,v0sccor integer nterm_sccor,isccortyp,nsccortyp,nlor_sccor - common/sccor/v1sccor(maxterm_sccor,3,20,20), - & v2sccor(maxterm_sccor,3,20,20), + common/sccor/v1sccor(maxterm_sccor,3,-ntyp:ntyp,-ntyp:ntyp), + & v2sccor(maxterm_sccor,3,-ntyp:ntyp,-ntyp:ntyp), + & v0sccor(-ntyp:ntyp,-ntyp:ntyp), + & nterm_sccor(-ntyp:ntyp,-ntyp:ntyp),isccortyp(-ntyp:ntyp), + & nsccortyp, + & nlor_sccor(-ntyp:ntyp,-ntyp:ntyp), & vlor1sccor(maxterm_sccor,20,20), & vlor2sccor(maxterm_sccor,20,20), - & vlor3sccor(maxterm_sccor,20,20),gloc_sc(3,0:maxres2,10), - & v0sccor(ntyp,ntyp), - & dcostau(3,3,3,maxres2),dsintau(3,3,3,maxres2), - & dtauangle(3,3,3,maxres2),dcosomicron(3,3,3,maxres2), - & domicron(3,3,3,maxres2), - & nterm_sccor(ntyp,ntyp),isccortyp(ntyp),nsccortyp, - & nlor_sccor(ntyp,ntyp) + & vlor3sccor(maxterm_sccor,20,20) +C,gloc_sc(3,0:maxres2,10), +C & dcostau(3,3,3,maxres2),dsintau(3,3,3,maxres2), +C & dtauangle(3,3,3,maxres2),dcosomicron(3,3,3,maxres2), +C & domicron(3,3,3,maxres2)