X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc-M%2FCOMMON.SCCOR;fp=source%2Fcluster%2Fwham%2Fsrc-M%2FCOMMON.SCCOR;h=c38cccbd31ce733a8a4dfeca761cfcec29b610dd;hb=5b0e27e99ac1e61b8b155f3cc6351fac58c391ca;hp=5217de7aec50e02afea26ea9dcd4227c01b85e59;hpb=664d495e70d14eed4e97f7b8efd2e107dee2fd4e;p=unres.git diff --git a/source/cluster/wham/src-M/COMMON.SCCOR b/source/cluster/wham/src-M/COMMON.SCCOR index 5217de7..c38cccb 100644 --- a/source/cluster/wham/src-M/COMMON.SCCOR +++ b/source/cluster/wham/src-M/COMMON.SCCOR @@ -1,6 +1,19 @@ -C Parameters of the SCCOR term - double precision v1sccor,v2sccor - integer nterm_sccor - common/torsion/v1sccor(maxterm_sccor,20,20), - & v2sccor(maxterm_sccor,20,20), - & nterm_sccor +cc Parameters of the SCCOR term + double precision v1sccor,v2sccor,vlor1sccor, + & vlor2sccor,vlor3sccor,gloc_sc, + & dcostau,dsintau,dtauangle,dcosomicron, + & domicron,v0sccor + integer nterm_sccor,isccortyp,nsccortyp,nlor_sccor + common /sccor/ v1sccor(maxterm_sccor,3,-ntyp:ntyp,-ntyp:ntyp), + & v2sccor(maxterm_sccor,3,-ntyp:ntyp,-ntyp:ntyp), + & v0sccor(maxterm_sccor,-ntyp:ntyp,-ntyp:ntyp), + & vlor1sccor(maxterm_sccor,-ntyp:ntyp,-ntyp:ntyp), + & vlor2sccor(maxterm_sccor,-ntyp:ntyp,-ntyp:ntyp), + & vlor3sccor(maxterm_sccor,-ntyp:ntyp,-ntyp:ntyp), + & gloc_sc(3,0:maxres2,10), + & 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,-ntyp:ntyp),isccortyp(-ntyp:ntyp), + & nsccortyp, + & nlor_sccor(-ntyp:ntyp,-ntyp:ntyp)