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19 lines
833 B
Text
19 lines
833 B
Text
# HOW TO EDIT THIS FILE:
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# The "handy ruler" below makes it easier to edit a package description. Line
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# up the first '|' above the ':' following the base package name, and the '|' on
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# the right side marks the last column you can put a character in. You must make
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# exactly 11 lines for the formatting to be correct. It's also customary to
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# leave one space after the ':'.
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|-----handy-ruler------------------------------------------------------|
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mpqc: mpqc (ab-initio quantum chemistry code)
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mpqc:
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mpqc: MPQC is the Massively Parallel Quantum Chemistry Program.
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mpqc: It computes properties of atoms and molecules from first principles
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mpqc: using the time independent Schrödinger equation.
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mpqc: Methods supported are: HF, MP2 AND DFT for energies and gradients,
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mpqc: OPT2 and ZAPT2 for energies.
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mpqc:
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mpqc:
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mpqc:
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mpqc:
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