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fleur
fleur
Commits
117e273a
Commit
117e273a
authored
Feb 08, 2019
by
Matthias Redies
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remove W=D+7 warning
parent
d47b32ee
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hybrid/coulombmatrix.F90
hybrid/coulombmatrix.F90
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hybrid/coulombmatrix.F90
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117e273a
...
...
@@ -2213,14 +2213,14 @@ CONTAINS
! Ensure numerical stability. If both formulas are not sufficiently stable, the program stops.
IF
(
r1
.GT.
r2
)
THEN
IF
(
r1
.LT.
1d-6
.AND.
l_warn
)
THEN
WRITE
(
6
,
'(A,E1
0.5,A,E10
.5,A)'
)
'sphbessel_integral: Warning! Formula One possibly unstable. Ratios:'
,
r1
,
'('
,
r2
,
')'
WRITE
(
6
,
'(A,E1
2.5,A,E12
.5,A)'
)
'sphbessel_integral: Warning! Formula One possibly unstable. Ratios:'
,
r1
,
'('
,
r2
,
')'
WRITE
(
6
,
'(A,2F15.10,I4)'
)
' Current qnorms and atom type:'
,
q1
,
q2
,
itype
l_warned
=
.TRUE.
END
IF
sphbessel_integral
=
s
**
3
/
dq
*
da
ELSE
IF
(
r2
.LT.
1d-6
.AND.
l_warn
)
THEN
WRITE
(
6
,
'(A,E1
0.5,A,E10
.5,A)'
)
'sphbessel_integral: Warning! Formula Two possibly unstable. Ratios:'
,
r2
,
'('
,
r1
,
')'
WRITE
(
6
,
'(A,E1
3.5,A,E13
.5,A)'
)
'sphbessel_integral: Warning! Formula Two possibly unstable. Ratios:'
,
r2
,
'('
,
r1
,
')'
WRITE
(
6
,
'(A,2F15.10,I4)'
)
' Current qnorms and atom type:'
,
q1
,
q2
,
itype
l_warned
=
.TRUE.
END
IF
...
...
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