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nomad-lab
soap-plus-plus
Commits
ed537e96
Commit
ed537e96
authored
Dec 15, 2016
by
Carl Poelking
Browse files
Cluster integration.
parent
bdae4286
Changes
1
Hide whitespace changes
Inline
Side-by-side
src/soap/coulomb.cpp
View file @
ed537e96
...
...
@@ -75,7 +75,8 @@ void AtomicSpectrumHC::registerPython() {
.
def
(
"getArray_k1"
,
&
AtomicSpectrumHC
::
getCoefficientsNumpy_k1
)
.
def
(
"getArray_k2"
,
&
AtomicSpectrumHC
::
getCoefficientsNumpy_k2
)
.
def
(
"getArray_k3"
,
&
AtomicSpectrumHC
::
getCoefficientsNumpy_k3
)
.
def
(
"getArray_k4"
,
&
AtomicSpectrumHC
::
getCoefficientsNumpy_k4
);
.
def
(
"getArray_k4"
,
&
AtomicSpectrumHC
::
getCoefficientsNumpy_k4
)
.
def
(
"getCenter"
,
&
AtomicSpectrumHC
::
getCenter
,
return_value_policy
<
reference_existing_object
>
());
}
// =============================
...
...
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