From: Adam Liwo Date: Thu, 4 Feb 2016 15:40:22 +0000 (+0100) Subject: Fixed arcos X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=commitdiff_plain;h=6f521277aa2a382d409f5189957283b0998b0d07 Fixed arcos --- diff --git a/source/cluster/unres/src/arcos.f b/source/cluster/unres/src/arcos.f index 052a1e4..f054118 100644 --- 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 - ARCOS=0.5D0*(PI+DSIGN(X,1.0D0)*PI) + ARCOS=PIPOL*(1.0d0-DSIGN(1.0D0,X)) 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 --- 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 - ARCOS=0.5D0*(PI+DSIGN(X,1.0D0)*PI) + ARCOS=PIPOL*(1.0d0-DSIGN(1.0D0,X)) 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 --- 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 - ARCOS=0.5D0*(PI+DSIGN(X,1.0D0)*PI) + ARCOS=PIPOL*(1.0d0-DSIGN(1.0D0,X)) 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 --- 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 - ARCOS=0.5D0*(PI+DSIGN(1.0D0,X)*PI) + ARCOS=PIPOL*(1.0d0-DSIGN(1.0D0,X)) RETURN 1 ARCOS=DACOS(X) RETURN diff --git a/source/wham/src/arcos.f b/source/wham/src/arcos.f index 69810ea..f054118 100644 --- 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 - ARCOS=0.5D0*(PI+DSIGN(1.0D0,X)*PI) + ARCOS=PIPOL*(1.0d0-DSIGN(1.0D0,X)) 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 --- 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 - ARCOS=0.5D0*(PI+DSIGN(1.0D0,X)*PI) + ARCOS=PIPOL*(1.0d0-DSIGN(1.0D0,X)) RETURN 1 ARCOS=DACOS(X) RETURN diff --git a/source/xdrfpdb/src/arcos.f b/source/xdrfpdb/src/arcos.f index 69810ea..f054118 100644 --- 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 - ARCOS=0.5D0*(PI+DSIGN(1.0D0,X)*PI) + ARCOS=PIPOL*(1.0d0-DSIGN(1.0D0,X)) RETURN 1 ARCOS=DACOS(X) RETURN