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9 lines
474 B
Plaintext
9 lines
474 B
Plaintext
Psi4 is an open-source suite of ab initio quantum chemistry programs designed
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for efficient, high-accuracy simulations of a variety of molecular properties.
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We can routinely perform computations with more than 2500 basis functions
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running serially or on multi-core machines.
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With computationally demanding portions written in C++, Pybind11 exports many
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of the C++ classes into Python, and a flexible Python driver, Psi4 strives to
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be friendly to both users and developers.
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