X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Fwham%2Fsrc%2FCOMMON.ALLPARM;h=61b2150a0bab3b0db58a2062ea887224312b7525;hb=50d746e67789b4329c6ce9a2dde8ae78004b1a3f;hp=6e18e932c3e372679e3f1f3f9451ec97f572b84f;hpb=2d66111aef48a7db8a87b9f9b3882d640ea53435;p=unres.git diff --git a/source/wham/src/COMMON.ALLPARM b/source/wham/src/COMMON.ALLPARM index 6e18e93..61b2150 100644 --- a/source/wham/src/COMMON.ALLPARM +++ b/source/wham/src/COMMON.ALLPARM @@ -7,22 +7,24 @@ & 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), + & 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), + & aa0thet_all(maxthetyp1,maxthetyp1,maxthetyp1,2,max_parm), + & aathet_all(maxtheterm,maxthetyp1,maxthetyp1,maxthetyp1,2, + & max_parm), & bbthet_all(maxsingle,maxtheterm2,maxthetyp1,maxthetyp1, - & maxthetyp1,max_parm), + & maxthetyp1,2,max_parm), & ccthet_all(maxsingle,maxtheterm2,maxthetyp1,maxthetyp1, - & maxthetyp1,max_parm), + & maxthetyp1,2,max_parm), & ddthet_all(maxsingle,maxtheterm2,maxthetyp1,maxthetyp1, - & maxthetyp1,max_parm), + & maxthetyp1,2,max_parm), & eethet_all(maxsingle,maxtheterm2,maxthetyp1,maxthetyp1, - & maxthetyp1,max_parm), + & maxthetyp1,2,max_parm), & ffthet_all(maxdouble,maxdouble,maxtheterm3,maxthetyp1,maxthetyp1, - & maxthetyp1,max_parm), + & maxthetyp1,2,max_parm), & ggthet_all(maxdouble,maxdouble,maxtheterm3,maxthetyp1,maxthetyp1, - & maxthetyp1,max_parm), + & maxthetyp1,2,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), @@ -58,6 +60,7 @@ & 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), @@ -85,6 +88,7 @@ & 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,