Derek Miller
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6
issues of
Derek Miller
I saw that you guys didn't want any external dependencies, so I decided to create a test suite from scratch. To run the tests, just type 'ant test'. I thought...
With spark 2.4.0, Barrier Executors were added to ensure tasks run at the same time. We should add this for training in SparkFlow.
enhancement
Currently, when using psi4, the only way I have been able to retrieve 3D coordinates of the orbitals is by writing the information to a cube file, then immediately reading...