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make cp src-HCD-5D
[unres.git]
/
source
/
unres
/
src-HCD-5D
/
intcor.f
diff --git
a/source/unres/src-HCD-5D/intcor.f
b/source/unres/src-HCD-5D/intcor.f
index
60c952b
..
280b484
100644
(file)
--- a/
source/unres/src-HCD-5D/intcor.f
+++ b/
source/unres/src-HCD-5D/intcor.f
@@
-5,7
+5,11
@@
C
c
c Calculates the planar angle between atoms (i1), (i2), and (i3).
c
c
c Calculates the planar angle between atoms (i1), (i2), and (i3).
c
- implicit real*8 (a-h,o-z)
+ implicit none
+ integer i1,i2,i3
+ double precision x12,x23,y12,y23,z12,z23,vnorm,wnorm,scalar,angle
+ double precision arcos
+ external arcos
include 'DIMENSIONS'
include 'COMMON.GEO'
include 'COMMON.CHAIN'
include 'DIMENSIONS'
include 'COMMON.GEO'
include 'COMMON.CHAIN'
@@
-17,8
+21,8
@@
c
z23=c(3,i3)-c(3,i2)
vnorm=dsqrt(x12*x12+y12*y12+z12*z12)
wnorm=dsqrt(x23*x23+y23*y23+z23*z23)
z23=c(3,i3)-c(3,i2)
vnorm=dsqrt(x12*x12+y12*y12+z12*z12)
wnorm=dsqrt(x23*x23+y23*y23+z23*z23)
- if ((vnorm.eq.0.0).or.(wnorm.eq.0.0)) then
- scalar=1.0
+ if ((vnorm.eq.0.0d0).or.(wnorm.eq.0.0d0)) then
+ scalar=1.0d0
else
scalar=(x12*x23+y12*y23+z12*z23)/(vnorm*wnorm)
endif
else
scalar=(x12*x23+y12*y23+z12*z23)/(vnorm*wnorm)
endif
@@
-32,7
+36,10
@@
C
c
c Calculates the dihedral angle between atoms (i1), (i2), (i3) and (i4)
c
c
c Calculates the dihedral angle between atoms (i1), (i2), (i3) and (i4)
c
- implicit real*8 (a-h,o-z)
+ implicit none
+ integer i1,i2,i3,i4
+ double precision x12,x23,x34,y12,y23,y34,z12,z23,z34,vnorm,wnorm,
+ & vx,vy,vz,wx,wy,wz,tx,ty,tz,scalar,angle
include 'DIMENSIONS'
include 'COMMON.GEO'
include 'COMMON.CHAIN'
include 'DIMENSIONS'
include 'COMMON.GEO'
include 'COMMON.CHAIN'
@@
-82,7
+89,9
@@
C
c
c Calculates the distance between atoms (i1) and (i2).
c
c
c Calculates the distance between atoms (i1) and (i2).
c
- implicit real*8 (a-h,o-z)
+ implicit none
+ integer i1,i2
+ double precision x12,y12,z12
include 'DIMENSIONS'
include 'COMMON.GEO'
include 'COMMON.CHAIN'
include 'DIMENSIONS'
include 'COMMON.GEO'
include 'COMMON.CHAIN'