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gentoo-overlay/sci-chemistry/cns/files/1.2.1-ifort.patch

127 lines
5.2 KiB

diff --git a/source/angledb.f b/source/angledb.f
index 28ad657..eaa847d 100644
--- a/source/angledb.f
+++ b/source/angledb.f
@@ -1416,10 +1416,10 @@ C include files
C local variables
INTEGER COUNT, SPTR, OLDCLASS, OLDMAXANGLEDBS
INTEGER THETYPE, CURPSIS, CURPHIS
- INTEGER CLASSINDEX
+ INTEGER CLASINDEX
DOUBLE PRECISION K1, CUTOFF
CHARACTER*4 THENAME
- CHARACTER*20 CLASSNAME
+ CHARACTER*20 CLASNAME
C begin
C
IF (ANGLEDBFLAG) THEN
@@ -1450,10 +1450,10 @@ C
ELSE IF (WD(1:4).EQ.'CLAS') THEN
OLDCLASS = CURANGLEDBCLASS
CALL NEXTWD('class name =')
- CLASSNAME = WD(1:20)
+ CLASNAME = WD(1:20)
ANGLEDBMODE = NEW
DO COUNT = 1, NANGLEDBCLASSES
- IF (ANGDBCLASSNAMES(COUNT).EQ.CLASSNAME) THEN
+ IF (ANGDBCLASSNAMES(COUNT).EQ.CLASNAME) THEN
ANGLEDBMODE = UPDATE
CURANGLEDBCLASS = COUNT
END IF
@@ -1472,7 +1472,7 @@ C
END IF
NANGLEDBCLASSES = NANGLEDBCLASSES + 1
CURANGLEDBCLASS = NANGLEDBCLASSES
- ANGDBCLASSNAMES(CURANGLEDBCLASS) = CLASSNAME
+ ANGDBCLASSNAMES(CURANGLEDBCLASS) = CLASNAME
ANGLEDBASSNDX(CURANGLEDBCLASS) = NANGLEDBS
END IF
C
@@ -1733,16 +1733,16 @@ C
& HEAP(ANGLEDBTPTR))
ELSE IF (WD(1:4).EQ.'CLAS') THEN
CALL NEXTWD('Class name>')
- CLASSNAME = WD(1:20)
- CLASSINDEX = 0
+ CLASNAME = WD(1:20)
+ CLASINDEX = 0
DO COUNT = 1, NANGLEDBCLASSES
IF (ANGDBCLASSNAMES(COUNT).EQ.
- & CLASSNAME) THEN
+ & CLASNAME) THEN
PRINTTHISCLASS(COUNT) = .TRUE.
- CLASSINDEX = COUNT
+ CLASINDEX = COUNT
END IF
END DO
- IF (CLASSINDEX.EQ.0) THEN
+ IF (CLASINDEX.EQ.0) THEN
CALL DSPERR('ANGLEDB',
& 'unknown class. Using first.')
PRINTTHISCLASS(1) = .TRUE.
diff --git a/source/rama.f b/source/rama.f
index c5d14f2..3063e7b 100644
--- a/source/rama.f
+++ b/source/rama.f
@@ -1468,11 +1468,11 @@ C include files
C local variables
INTEGER COUNT, SPTR, OLDCLASS, OLDMAXRAMAS,
& THETYPE, CURPSIS, CURPHIS,
- & CURCHIS, CURTHTS, CLASSINDEX
+ & CURCHIS, CURTHTS, CLASINDEX
INTEGER CLEN
DOUBLE PRECISION K1, CUTOFF
CHARACTER*4 THENAME
- CHARACTER*50 CLASSNAME
+ CHARACTER*50 CLASNAME
C begin
C
C this is used by READRAMA2 to hold the selection
@@ -1503,10 +1503,10 @@ C
ELSE IF (WD(1:4).EQ.'CLAS') THEN
OLDCLASS = CURRAMACLASS
CALL NEXTWD('class name =')
- CLASSNAME = WD(1:50)
+ CLASNAME = WD(1:50)
RAMAMODE = NEW
DO COUNT = 1, NRAMACLASSES
- IF (RAMACLASSNAMES(COUNT).EQ.CLASSNAME) THEN
+ IF (RAMACLASSNAMES(COUNT).EQ.CLASNAME) THEN
RAMAMODE = UPDATE
CURRAMACLASS = COUNT
END IF
@@ -1525,7 +1525,7 @@ C
END IF
NRAMACLASSES = NRAMACLASSES + 1
CURRAMACLASS = NRAMACLASSES
- RAMACLASSNAMES(CURRAMACLASS) = CLASSNAME
+ RAMACLASSNAMES(CURRAMACLASS) = CLASNAME
END IF
C
C set force constant for current class,
@@ -1954,18 +1954,18 @@ C
& HEAP(RAMAATOMPTR), 0)
ELSE IF (WD(1:4).EQ.'CLAS') THEN
CALL NEXTWD('Class name>')
- CLASSINDEX = 0
+ CLASINDEX = 0
DO COUNT = 1, NRAMACLASSES
- IF (RAMACLASSNAMES(COUNT).EQ.CLASSNAME)
- & CLASSINDEX = COUNT
+ IF (RAMACLASSNAMES(COUNT).EQ.CLASNAME)
+ & CLASINDEX = COUNT
END DO
- IF (CLASSINDEX.EQ.0) THEN
+ IF (CLASINDEX.EQ.0) THEN
CALL DSPERR('RAMA',
& 'unknown class. Using first.')
- CLASSINDEX = 1
+ CLASINDEX = 1
END IF
CALL PRINTRAMAS(CUTOFF, HEAP(CALCRAMAPTR),
- & HEAP(RAMAATOMPTR), CLASSINDEX)
+ & HEAP(RAMAATOMPTR), CLASINDEX)
ELSE
CALL DSPERR('RAMA',
& 'Expected ALL or CLASs.')