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Merge branch 'prerelease-3.2.1'
[unres.git]
/
source
/
cluster
/
wham
/
src
/
arcos.f
diff --git
a/source/cluster/wham/src/arcos.f
b/source/cluster/wham/src/arcos.f
index
052a1e4
..
f054118
100644
(file)
--- a/
source/cluster/wham/src/arcos.f
+++ b/
source/cluster/wham/src/arcos.f
@@
-2,7
+2,7
@@
implicit real*8 (a-h,o-z)
include 'COMMON.GEO'
IF (DABS(X).LT.1.0D0) GOTO 1
implicit real*8 (a-h,o-z)
include 'COMMON.GEO'
IF (DABS(X).LT.1.0D0) GOTO 1
- ARCOS=0.5D0*(PI+DSIGN(X,1.0D0)*PI)
+ ARCOS=PIPOL*(1.0d0-DSIGN(1.0D0,X))
RETURN
1 ARCOS=DACOS(X)
RETURN
RETURN
1 ARCOS=DACOS(X)
RETURN