X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Fwham%2Fsrc-M%2FCOMMON.ALLPARM;h=88b480f15cedaf38e486045abf3058d3b28ae0fb;hb=afb3d0e4cd5a4a69ed99428f72e2858bfe627aeb;hp=0bbeb45fcc4f3c98d17afeacc6a4661dbb7a7d60;hpb=bec8e01821360e63bb9482c6c97c18fee3e97dc4;p=unres.git

diff --git a/source/wham/src-M/COMMON.ALLPARM b/source/wham/src-M/COMMON.ALLPARM
index 0bbeb45..88b480f 100644
--- a/source/wham/src-M/COMMON.ALLPARM
+++ b/source/wham/src-M/COMMON.ALLPARM
@@ -9,20 +9,33 @@
      & 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,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),
+     & 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:ntyp,max_parm),
      & gaussc_all(3,3,maxlob,-ntyp:ntyp,max_parm),
@@ -60,8 +73,8 @@
      & 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)
+     & 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),
@@ -70,13 +83,15 @@
      & 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,