Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / source / unres / src_CSA_DiL / intcor.f

diff --git a/source/unres/src_CSA_DiL/intcor.f b/source/unres/src_CSA_DiL/intcor.f
deleted file mode 100644 (file)
index a3cd5d0..0000000
--- a/source/unres/src_CSA_DiL/intcor.f
+++ /dev/null
@@ -1,91 +0,0 @@
-C
-C------------------------------------------------------------------------------
-C
-      double precision function alpha(i1,i2,i3)
-c
-c  Calculates the planar angle between atoms (i1), (i2), and (i3).
-c
-      implicit real*8 (a-h,o-z)
-      include 'DIMENSIONS'
-      include 'COMMON.GEO'
-      include 'COMMON.CHAIN'
-      x12=c(1,i1)-c(1,i2)
-      x23=c(1,i3)-c(1,i2)
-      y12=c(2,i1)-c(2,i2)
-      y23=c(2,i3)-c(2,i2)
-      z12=c(3,i1)-c(3,i2)
-      z23=c(3,i3)-c(3,i2)
-      vnorm=dsqrt(x12*x12+y12*y12+z12*z12)
-      wnorm=dsqrt(x23*x23+y23*y23+z23*z23)
-      scalar=(x12*x23+y12*y23+z12*z23)/(vnorm*wnorm)
-      alpha=arcos(scalar)
-      return
-      end
-C
-C------------------------------------------------------------------------------
-C
-      double precision function beta(i1,i2,i3,i4)
-c
-c  Calculates the dihedral angle between atoms (i1), (i2), (i3) and (i4)
-c
-      implicit real*8 (a-h,o-z)
-      include 'DIMENSIONS'
-      include 'COMMON.GEO'
-      include 'COMMON.CHAIN'
-      x12=c(1,i1)-c(1,i2)
-      x23=c(1,i3)-c(1,i2)
-      x34=c(1,i4)-c(1,i3)
-      y12=c(2,i1)-c(2,i2)
-      y23=c(2,i3)-c(2,i2)
-      y34=c(2,i4)-c(2,i3)
-      z12=c(3,i1)-c(3,i2)
-      z23=c(3,i3)-c(3,i2)
-      z34=c(3,i4)-c(3,i3)
-cd    print '(2i3,3f10.5)',i1,i2,x12,y12,z12
-cd    print '(2i3,3f10.5)',i2,i3,x23,y23,z23
-cd    print '(2i3,3f10.5)',i3,i4,x34,y34,z34
-      wx=-y23*z34+y34*z23
-      wy=x23*z34-z23*x34
-      wz=-x23*y34+y23*x34
-      wnorm=dsqrt(wx*wx+wy*wy+wz*wz)
-      vx=y12*z23-z12*y23
-      vy=-x12*z23+z12*x23
-      vz=x12*y23-y12*x23
-      vnorm=dsqrt(vx*vx+vy*vy+vz*vz)
-      if (vnorm.gt.1.0D-13 .and. wnorm.gt.1.0D-13) then
-      scalar=(vx*wx+vy*wy+vz*wz)/(vnorm*wnorm)
-      if (dabs(scalar).gt.1.0D0) 
-     &scalar=0.99999999999999D0*scalar/dabs(scalar)
-      angle=dacos(scalar)
-cd    print '(2i4,10f7.3)',i2,i3,vx,vy,vz,wx,wy,wz,vnorm,wnorm,
-cd   &scalar,angle
-      else
-      angle=pi
-      endif 
-c     if (angle.le.0.0D0) angle=pi+angle
-      tx=vy*wz-vz*wy
-      ty=-vx*wz+vz*wx
-      tz=vx*wy-vy*wx
-      scalar=tx*x23+ty*y23+tz*z23
-      if (scalar.lt.0.0D0) angle=-angle
-      beta=angle
-      return
-      end
-C
-C------------------------------------------------------------------------------
-C
-      function dist(i1,i2)
-c
-c  Calculates the distance between atoms (i1) and (i2).
-c
-      implicit real*8 (a-h,o-z)
-      include 'DIMENSIONS'
-      include 'COMMON.GEO'
-      include 'COMMON.CHAIN'
-      x12=c(1,i1)-c(1,i2)
-      y12=c(2,i1)-c(2,i2)
-      z12=c(3,i1)-c(3,i2)
-      dist=dsqrt(x12*x12+y12*y12+z12*z12)
-      return
-      end
-C