X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2FCOMMON.ALLPARM;fp=source%2Fwham%2Fsrc%2FCOMMON.ALLPARM;h=6e18e932c3e372679e3f1f3f9451ec97f572b84f;hb=5b0e27e99ac1e61b8b155f3cc6351fac58c391ca;hp=896b5a2abf0bb50dccb688047d2e8da52ec1ed84;hpb=664d495e70d14eed4e97f7b8efd2e107dee2fd4e;p=unres.git

diff --git a/source/wham/src/COMMON.ALLPARM b/source/wham/src/COMMON.ALLPARM
index 896b5a2..6e18e93 100644
--- a/source/wham/src/COMMON.ALLPARM
+++ b/source/wham/src/COMMON.ALLPARM
@@ -3,10 +3,12 @@
      & vbldsc0_all(maxbondterm,ntyp,max_parm),
      & aksc_all(maxbondterm,ntyp,max_parm),
      & abond0_all(maxbondterm,ntyp,max_parm),
-     & a0thet_all(ntyp,max_parm),athet_all(2,ntyp,max_parm),
-     & bthet_all(2,ntyp,max_parm),polthet_all(0:3,ntyp,max_parm),
-     & gthet_all(3,ntyp,max_parm),theta0_all(ntyp,max_parm),
-     & sig0_all(ntyp,max_parm),sigc0_all(ntyp,max_parm),
+     & a0thet_all(-ntyp:ntyp,max_parm),
+     & athet_all(2,-ntyp:ntyp,-1:1,-1:1,max_parm),
+     & bthet_all(2,-ntyp:ntyp,-1:1,-1:1,max_parm),
+     & 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,
@@ -22,23 +24,32 @@
      & ggthet_all(maxdouble,maxdouble,maxtheterm3,maxthetyp1,maxthetyp1,
      &  maxthetyp1,max_parm),
      & dsc_all(ntyp1,max_parm),bsc_all(maxlob,ntyp,max_parm),
-     & censc_all(3,maxlob,ntyp,max_parm),
-     & gaussc_all(3,3,maxlob,ntyp,max_parm),dsc0_all(ntyp1,max_parm),
+     & censc_all(3,maxlob,-ntyp:ntyp,max_parm),
+     & gaussc_all(3,3,maxlob,-ntyp:ntyp,max_parm),
+     & dsc0_all(ntyp1,max_parm),
      & sc_parmin_all(65,ntyp,max_parm),
-     & v0_all(maxtor,maxtor,max_parm),
-     & v1_all(maxterm,maxtor,maxtor,max_parm),
-     & v2_all(maxterm,maxtor,maxtor,max_parm),
+     & v0_all(-maxtor:maxtor,-maxtor:maxtor,2,max_parm),
+     & v1_all(maxterm,-maxtor:maxtor,-maxtor:maxtor,2,max_parm),
+     & v2_all(maxterm,-maxtor:maxtor,-maxtor:maxtor,2,max_parm),
      & vlor1_all(maxlor,maxtor,maxtor,max_parm),
      & vlor2_all(maxlor,maxtor,maxtor,max_parm),
      & vlor3_all(maxlor,maxtor,maxtor,max_parm),
-     & v1c_all(2,maxtermd_1,maxtor,maxtor,maxtor,max_parm),
-     & v1s_all(2,maxtermd_1,maxtor,maxtor,maxtor,max_parm),
-     & v2c_all(maxtermd_2,maxtermd_2,maxtor,maxtor,maxtor,max_parm),
-     & v2s_all(maxtermd_2,maxtermd_2,maxtor,maxtor,maxtor,max_parm),
-     & b1_all(2,maxtor,max_parm),b2_all(2,maxtor,max_parm),
-     & cc_all(2,2,maxtor,max_parm),dd_all(2,2,maxtor,max_parm),
-     & ee_all(2,2,maxtor,max_parm),ctilde_all(2,2,maxtor,max_parm),
-     & dtilde_all(2,2,maxtor,max_parm),b1tilde_all(2,maxtor,max_parm),
+     & v1c_all(2,maxtermd_1,-maxtor:maxtor,-maxtor:maxtor,
+     & -maxtor:maxtor,2,max_parm),
+     & v1s_all(2,maxtermd_1,-maxtor:maxtor,-maxtor:maxtor,
+     & -maxtor:maxtor,2,max_parm),
+     & v2c_all(maxtermd_2,maxtermd_2,-maxtor:maxtor,
+     & -maxtor:maxtor,-maxtor:maxtor,2,max_parm),
+     & v2s_all(maxtermd_2,maxtermd_2,-maxtor:maxtor,-maxtor:maxtor,
+     & -maxtor:maxtor,2,max_parm),
+     & b1_all(2,-maxtor:maxtor,max_parm),
+     & b2_all(2,-maxtor:maxtor,max_parm),
+     & cc_all(2,2,-maxtor:maxtor,max_parm),
+     & dd_all(2,2,-maxtor:maxtor,max_parm),
+     & ee_all(2,2,-maxtor:maxtor,max_parm),
+     & ctilde_all(2,2,-maxtor:maxtor,max_parm),
+     & dtilde_all(2,2,-maxtor:maxtor,max_parm),
+     & b1tilde_all(2,-maxtor:maxtor,max_parm),
      & app_all(2,2,max_parm),bpp_all(2,2,max_parm),
      & ael6_all(2,2,max_parm),ael3_all(2,2,max_parm),
      & aad_all(ntyp,2,max_parm),bad_all(ntyp,2,max_parm),
@@ -51,10 +62,13 @@
      & 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)
-      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),
+      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),