rename

[unres4.git] / source / wham / w_compar_data.f90

diff --git a/source/wham/w_compar_data.f90 b/source/wham/w_compar_data.f90
deleted file mode 100644 (file)
index 00b2d2a..0000000
--- a/source/wham/w_compar_data.f90
+++ /dev/null
@@ -1,55 +0,0 @@
-      module w_compar_data
-!---------------------------------------------------------------------------
-!      use names
-!---------------------------------------------------------------------------
-! commom.contacts (in energy_data)
-!      common /contacts/
-      integer,dimension(:),allocatable :: nsccont_frag_ref !(mmaxfrag) !wham
-      integer,dimension(:,:,:),allocatable :: isccont_frag_ref !(2,maxcont,mmaxfrag) !wham
-!-----------------------------------------------------------------------------
-! COMMON.COMPAR
-!      common /compar/
-      real(kind=8),dimension(:,:),allocatable :: rmsfrag,&
-        nc_fragm !(maxfrag,maxlevel)
-      real(kind=8),dimension(:,:),allocatable :: qfrag !(maxfrag,2)
-      real(kind=8) :: rmscut_base_low,rmscut_base_up,&
-        rmsup_lim,rmsupup_lim
-      real(kind=8),dimension(:,:,:),allocatable :: rmscutfrag !(2,maxfrag,maxlevel)
-      real(kind=8) :: rms_nat,qnat,rmsang
-      real(kind=8),dimension(:),allocatable :: ang_cut,ang_cut1,frac_min!(maxfrag)
-      integer,dimension(:,:),allocatable :: nc_req_setf,npiece,&
-        ielecont,isccont,irms,ishifft,len_frag !(maxfrag,maxlevel)
-      integer,dimension(:,:,:),allocatable :: ncont_nat,&
-        n_shift !(2,maxfrag,maxlevel)
-      integer,dimension(:),allocatable :: nfrag !(maxlevel)
-      integer,dimension(:),allocatable :: isnfrag !(maxlevel+1)
-      integer,dimension(:,:,:),allocatable :: ifrag !(2,maxpiece,maxfrag)
-      integer,dimension(:,:,:),allocatable :: ipiece !(maxpiece,maxfrag,2:maxlevel)
-      integer,dimension(:),allocatable ::istruct,iloc,nlist_frag !(maxfrag)
-      integer,dimension(:,:),allocatable :: iclass !(maxlevel*maxfrag,maxlevel)
-      integer :: iscore,nlevel,ibase
-      logical :: lgrp,lgrp_out,binary
-      integer,dimension(:,:),allocatable :: list_frag !(maxres,maxfrag)
-!      common /compar1/
-      real(kind=8) :: angcut_hel,angcut1_hel,angcut_bet,angcut1_bet,&
-        angcut_strand,angcut1_strand,frac_min_set,ncfrac_hel,&
-        ncfrac_bet,ncfrac_pair,frac_sec
-      integer :: ncreq_hel,ncreq_bet,ncreq_pair,irms_pair,&
-        icont_pair,isplit_bet,nshift_hel,nshift_bet,nshift_strand,&
-        nshift_pair,irms_single,icont_single,iloc_single
-!---------------------------------------------------------------------------
-! COMMON.VAR
-! Angles from experimental structure
-!      common /varref/
-      real(kind=8),dimension(:),allocatable :: vbld_ref,theta_ref,&
-        phi_ref,alph_ref,omeg_ref !(maxres)
-!---------------------------------------------------------------------------
-! COMMON.CONTPAR
-!      common /contpar/
-      real(kind=8),dimension(:,:),allocatable :: sig_comp,chi_comp,&
-        chip_comp,sc_cutoff !(ntyp,ntyp)
-!      real(kind=8),dimension(ntyp,ntyp) :: sig_comp,chi_comp,&
-!        chip_comp,sc_cutoff !(ntyp,ntyp)
-!---------------------------------------------------------------------------
-!---------------------------------------------------------------------------
-      end module w_compar_data