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Anthony Scemama d0f61750da Add Gaussian.Atomic_shell_pair
2021-01-20 23:55:34 +01:00
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lib MP2 OK 2021-01-01 16:39:33 +01:00
test Cleaned readme for auto-generation 2020-12-28 12:23:39 +01:00
README.org Add Gaussian.Atomic_shell_pair 2021-01-20 23:55:34 +01:00
simulation.org Added simulation 2021-01-01 11:52:08 +01:00

README.org

Simulation

"Data describing a simulation (AOs, operators, nuclear coordinate,...)"
Data describing a simulation (AOs, operators, nuclear coordinate,...)