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Reading Gaussian fchk vibrations when present #1380
Reading Gaussian fchk vibrations when present #1380
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Signed-off-by: Geoff Hutchison <[email protected]>
Signed-off-by: Geoff Hutchison <[email protected]>
Here are the build results |
Signed-off-by: Geoff Hutchison <[email protected]>
Here are the build results |
@@ -104,13 +116,11 @@ | |||
m_electronsBeta = Core::lexicalCast<int>(list[1]); | |||
} else if (key == "Number of basis functions" && list.size() > 1) { | |||
m_numBasisFunctions = Core::lexicalCast<int>(list[1]); | |||
cout << "Number of basis functions = " << m_numBasisFunctions << endl; | |||
// cout << "Number of basis functions = " << m_numBasisFunctions << endl; |
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Code scanning / CodeQL
Commented-out code Note
Here are the build results |
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