12 lines
681 B
Plaintext
12 lines
681 B
Plaintext
PyQuante is an open-source suite of programs for developing quantum
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chemistry methods. The program is written in the Python programming
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language, and has many 'rate-determining' modules also written in C
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for speed. The resulting code is not nearly as fast as Jaguar,
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Gaussian, or GAMESS, but the resulting code is much easier to
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understand and modify. The goal of this software is not necessarily to
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provide a working quantum chemistry program (although it will
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hopefully do that), but rather to provide a well-engineered set of
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tools so that scientists can construct their own quantum chemistry
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programs without going through the tedium of having to write every
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low-level routine
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