+++ /dev/null
- module clust_data
-!-----------------------------------------------------------------------------
-!*****************************************************************
-!
-! Array dimensions for the clustering programs:
-!
-! Max. number of conformations in the data set.
-!
- integer,PARAMETER :: MAXCONF=13000
- integer,parameter :: maxstr_proc=maxconf
-!
-! Max. number of "distances" between conformations.
-!
- integer,PARAMETER :: MAXDIST=(maxstr_proc*(maxstr_proc-1))/2
-!
-! Max. number of clusters. Should be set to MAXCONF; change only if there are
-! problems with memory. In such a case be suspicious about the results, however!
-!
- integer,PARAMETER :: MAXGR=maxstr_proc
-!
-! Max. number of conformations in a cluster. Remark above applies also here.
-!
- integer,PARAMETER :: MAXINGR=maxstr_proc
-!
-! Max. number of cut-off values
-!
- integer,PARAMETER :: MAX_CUT=5
-!
-! Max. number of properties
-!
- integer,PARAMETER :: MAXPROP=5
-!
-! Max. number of temperatures
- integer,parameter :: maxT=5
-!
-! Max. number of S-S bridges
- integer,parameter :: maxss=20
-!
-!******************************************************************
-!COMMON.CLUSTER
-! common /clu/
- real(kind=4),dimension(:),allocatable :: diss !(maxdist)
- real(kind=8),dimension(:),allocatable :: energy,totfree !(0:maxconf)
- real(kind=8),dimension(:,:),allocatable :: enetb !(max_ene,maxstr_proc)
- real(kind=8),dimension(:),allocatable :: entfac !(maxconf)
- real(kind=8),dimension(:),allocatable :: totfree_gr !(maxgr)
- real(kind=8),dimension(:),allocatable :: rcutoff !(max_cut+1)
- real(kind=8) :: ecut
- integer :: ncut
- logical :: min_var,tree,plot_tree,lgrp
-! common /clu1/
- integer,dimension(:),allocatable :: licz,iass !(maxgr)
- integer,dimension(:,:),allocatable :: nconf !(maxgr,maxingr)
- integer,dimension(:,:),allocatable :: iass_tot !(maxgr,max_cut)
- integer,dimension(:),allocatable :: list_conf !(maxconf)
- integer :: ngr
-! common /alles/
- real(kind=4),dimension(:,:,:),allocatable :: allcart !(3,maxres2,maxstr_proc)
- real(kind=8),dimension(:),allocatable :: rmstb !(maxconf)
- integer,dimension(:),allocatable :: mult !(maxres)
- integer,dimension(:),allocatable :: nss_all !(maxstr_proc)
- integer,dimension(:,:),allocatable :: ihpb_all,jhpb_all !(maxss,maxstr_proc)
- integer,dimension(:),allocatable :: icc,iscore !(maxconf)
- integer :: nprop
-!COMMON.TEMPFAC
-! common /factemp/
- real(kind=8),dimension(:,:),allocatable :: tempfac !(2,maxres)
-!COMMON.FREE
-! common /free/
- integer :: nT
- real(kind=8) :: prob_limit
- real(kind=8),dimension(:),allocatable :: beta_h !(maxT)
-!-----------------------------------------------------------------------------
- end module clust_data