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Last change
on this file since 52aacc was 5d30c1, checked in by Frederik Heber <heber@…>, 13 years ago |
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Initial commit based on 3.0.0alpha (here claimed as 2.4).
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| 2 | /** \page mpqcover MPQC Overview
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| 4 | The Massively Parallel Quantum Chemistry program (MPQC) computes
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| 5 | the properties of molecules, <i>ab initio</i>, on a wide variety
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| 6 | of computer architectures.
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| 7 |
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| 8 | MPQC can compute closed shell and general restricted open-shell
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| 9 | Hartree-Fock energies and gradients, second order open-shell
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| 10 | perturbation theory (OPT2[2]) and Z-averaged perturbation theory
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| 11 | (ZAPT2) energies, and second order closed shell Moeller-Plesset
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| 12 | perturbation theory energies and gradients. It also includes
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| 13 | methods for optimizing molecules in either Cartesian or internal
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| 14 | coordinates.
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| 15 |
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| 16 | MPQC is designed using object-oriented programming techniques and
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| 17 | implemented in the C++ programming language.
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| 19 | */
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