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Fixed arcos
author
Adam Liwo
<adam@piasek4.chem.univ.gda.pl>
Thu, 4 Feb 2016 15:40:22 +0000
(16:40 +0100)
committer
Adam Liwo
<adam@piasek4.chem.univ.gda.pl>
Thu, 4 Feb 2016 15:40:22 +0000
(16:40 +0100)
source/cluster/unres/src/arcos.f
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source/cluster/wham/src-M/arcos.f
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source/cluster/wham/src/arcos.f
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source/wham/src-M/arcos.f
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source/xdrfpdb/src-M/arcos.f
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diff --git
a/source/cluster/unres/src/arcos.f
b/source/cluster/unres/src/arcos.f
index
052a1e4
..
f054118
100644
(file)
--- a/
source/cluster/unres/src/arcos.f
+++ b/
source/cluster/unres/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
diff --git
a/source/cluster/wham/src-M/arcos.f
b/source/cluster/wham/src-M/arcos.f
index
052a1e4
..
f054118
100644
(file)
--- a/
source/cluster/wham/src-M/arcos.f
+++ b/
source/cluster/wham/src-M/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
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
diff --git
a/source/wham/src-M/arcos.f
b/source/wham/src-M/arcos.f
index
69810ea
..
f054118
100644
(file)
--- a/
source/wham/src-M/arcos.f
+++ b/
source/wham/src-M/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(1.0D0,X)*PI)
+ ARCOS=PIPOL*(1.0d0-DSIGN(1.0D0,X))
RETURN
1 ARCOS=DACOS(X)
RETURN
RETURN
1 ARCOS=DACOS(X)
RETURN
diff --git
a/source/wham/src/arcos.f
b/source/wham/src/arcos.f
index
69810ea
..
f054118
100644
(file)
--- a/
source/wham/src/arcos.f
+++ b/
source/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(1.0D0,X)*PI)
+ ARCOS=PIPOL*(1.0d0-DSIGN(1.0D0,X))
RETURN
1 ARCOS=DACOS(X)
RETURN
RETURN
1 ARCOS=DACOS(X)
RETURN
diff --git
a/source/xdrfpdb/src-M/arcos.f
b/source/xdrfpdb/src-M/arcos.f
index
69810ea
..
f054118
100644
(file)
--- a/
source/xdrfpdb/src-M/arcos.f
+++ b/
source/xdrfpdb/src-M/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(1.0D0,X)*PI)
+ ARCOS=PIPOL*(1.0d0-DSIGN(1.0D0,X))
RETURN
1 ARCOS=DACOS(X)
RETURN
RETURN
1 ARCOS=DACOS(X)
RETURN
diff --git
a/source/xdrfpdb/src/arcos.f
b/source/xdrfpdb/src/arcos.f
index
69810ea
..
f054118
100644
(file)
--- a/
source/xdrfpdb/src/arcos.f
+++ b/
source/xdrfpdb/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(1.0D0,X)*PI)
+ ARCOS=PIPOL*(1.0d0-DSIGN(1.0D0,X))
RETURN
1 ARCOS=DACOS(X)
RETURN
RETURN
1 ARCOS=DACOS(X)
RETURN