X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2FCOMMON.ALLPARM;h=f6ecd196cb2c2c794b92ba872b34feed76a2265f;hb=faea29f012ec8e63652b824ecdd37305fdf75ed8;hp=6e18e932c3e372679e3f1f3f9451ec97f572b84f;hpb=2d66111aef48a7db8a87b9f9b3882d640ea53435;p=unres.git

diff --git a/source/wham/src/COMMON.ALLPARM b/source/wham/src/COMMON.ALLPARM
index 6e18e93..f6ecd19 100644
--- a/source/wham/src/COMMON.ALLPARM
+++ b/source/wham/src/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),
@@ -58,10 +71,11 @@
      & 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),
+     & ss_depth_all(max_parm),ht_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,3,ntyp,ntyp,max_parm),
-     & v2sccor_all(maxterm_sccor,3,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 +84,15 @@
      & 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,ntyp,ntyp)
+     & 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,
@@ -85,6 +101,7 @@
      & ctilde_all,dtilde_all,b1tilde_all,app_all,bpp_all,ael6_all,
      & ael3_all,aad_all,bad_all,aa_all,bb_all,augm_all,
      & eps_all,sigma_all,r0_all,chi_all,chip_all,alp_all,ebr_all,
+     & ss_depth_all,ht_all,
      & d0cm_all,akcm_all,akth_all,akct_all,v1ss_all,v2ss_all,v3ss_all,
      & v1sccor_all,v2sccor_all,nbondterm_all,
      & nlob_all,nlor_all,nterm_all,ntermd1_all,ntermd2_all,