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pkgsrc-wip/py-pyquante/PLIST
Kamel Ibn Aziz Derouiche 9c2dcc5da1 Import py26-pyquante-1.6.3 as wip/py-pyquante. 
PyQuante is an open-source suite of programs for developing quantum
chemistry methods. The program is written in the Python programming
language, and has many 'rate-determining' modules also written in C
for speed. The resulting code is not nearly as fast as Jaguar,
Gaussian, or GAMESS, but the resulting code is much easier to
understand and modify. The goal of this software is not necessarily to
provide a working quantum chemistry program (although it will
hopefully do that), but rather to provide a well-engineered set of
tools so that scientists can construct their own quantum chemistry
programs without going through the tedium of having to write every
low-level routine
2010-05-13 12:37:29 +00:00

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@comment $NetBSD: PLIST,v 1.1.1.1 2010/05/13 12:37:29 jihbed Exp $
${PYSITELIB}/PyQuante/AnalyticDerivatives.py
${PYSITELIB}/PyQuante/AnalyticDerivatives.pyc
${PYSITELIB}/PyQuante/AnalyticDerivatives.pyo
${PYSITELIB}/PyQuante/Atom.py
${PYSITELIB}/PyQuante/Atom.pyc
${PYSITELIB}/PyQuante/Atom.pyo
${PYSITELIB}/PyQuante/AtomicGrid.py
${PYSITELIB}/PyQuante/AtomicGrid.pyc
${PYSITELIB}/PyQuante/AtomicGrid.pyo
${PYSITELIB}/PyQuante/Basis/Tools.py
${PYSITELIB}/PyQuante/Basis/Tools.pyc
${PYSITELIB}/PyQuante/Basis/Tools.pyo
${PYSITELIB}/PyQuante/Basis/__init__.py
${PYSITELIB}/PyQuante/Basis/__init__.pyc
${PYSITELIB}/PyQuante/Basis/__init__.pyo
${PYSITELIB}/PyQuante/Basis/ccpvdz.py
${PYSITELIB}/PyQuante/Basis/ccpvdz.pyc
${PYSITELIB}/PyQuante/Basis/ccpvdz.pyo
${PYSITELIB}/PyQuante/Basis/ccpvtz.py
${PYSITELIB}/PyQuante/Basis/ccpvtz.pyc
${PYSITELIB}/PyQuante/Basis/ccpvtz.pyo
${PYSITELIB}/PyQuante/Basis/dzvp.py
${PYSITELIB}/PyQuante/Basis/dzvp.pyc
${PYSITELIB}/PyQuante/Basis/dzvp.pyo
${PYSITELIB}/PyQuante/Basis/lacvp.py
${PYSITELIB}/PyQuante/Basis/lacvp.pyc
${PYSITELIB}/PyQuante/Basis/lacvp.pyo
${PYSITELIB}/PyQuante/Basis/p321.py
${PYSITELIB}/PyQuante/Basis/p321.pyc
${PYSITELIB}/PyQuante/Basis/p321.pyo
${PYSITELIB}/PyQuante/Basis/p6311pp_2d_2p.py
${PYSITELIB}/PyQuante/Basis/p6311pp_2d_2p.pyc
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${PYSITELIB}/PyQuante/Basis/p6311pp_3d_3p.py
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${PYSITELIB}/PyQuante/Basis/p6311pp_3df_3pd.py
${PYSITELIB}/PyQuante/Basis/p6311pp_3df_3pd.pyc
${PYSITELIB}/PyQuante/Basis/p6311pp_3df_3pd.pyo
${PYSITELIB}/PyQuante/Basis/p6311ss.py
${PYSITELIB}/PyQuante/Basis/p6311ss.pyc
${PYSITELIB}/PyQuante/Basis/p6311ss.pyo
${PYSITELIB}/PyQuante/Basis/p631ppss.py
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${PYSITELIB}/PyQuante/Basis/p631ppss.pyo
${PYSITELIB}/PyQuante/Basis/p631ss.py
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${PYSITELIB}/PyQuante/Basis/p631ss.pyo
${PYSITELIB}/PyQuante/Basis/sto3g.py
${PYSITELIB}/PyQuante/Basis/sto3g.pyc
${PYSITELIB}/PyQuante/Basis/sto3g.pyo
${PYSITELIB}/PyQuante/Basis/sto6g.py
${PYSITELIB}/PyQuante/Basis/sto6g.pyc
${PYSITELIB}/PyQuante/Basis/sto6g.pyo
${PYSITELIB}/PyQuante/Bunch.py
${PYSITELIB}/PyQuante/Bunch.pyc
${PYSITELIB}/PyQuante/Bunch.pyo
${PYSITELIB}/PyQuante/CGBF.py
${PYSITELIB}/PyQuante/CGBF.pyc
${PYSITELIB}/PyQuante/CGBF.pyo
${PYSITELIB}/PyQuante/CI.py
${PYSITELIB}/PyQuante/CI.pyc
${PYSITELIB}/PyQuante/CI.pyo
${PYSITELIB}/PyQuante/Constants.py
${PYSITELIB}/PyQuante/Constants.pyc
${PYSITELIB}/PyQuante/Constants.pyo
${PYSITELIB}/PyQuante/Convergence.py
${PYSITELIB}/PyQuante/Convergence.pyc
${PYSITELIB}/PyQuante/Convergence.pyo
${PYSITELIB}/PyQuante/DFunctionals.py
${PYSITELIB}/PyQuante/DFunctionals.pyc
${PYSITELIB}/PyQuante/DFunctionals.pyo
${PYSITELIB}/PyQuante/DFunctionalsOld.py
${PYSITELIB}/PyQuante/DFunctionalsOld.pyc
${PYSITELIB}/PyQuante/DFunctionalsOld.pyo
${PYSITELIB}/PyQuante/DMP.py
${PYSITELIB}/PyQuante/DMP.pyc
${PYSITELIB}/PyQuante/DMP.pyo
${PYSITELIB}/PyQuante/Dynamics.py
${PYSITELIB}/PyQuante/Dynamics.pyc
${PYSITELIB}/PyQuante/Dynamics.pyo
${PYSITELIB}/PyQuante/EN2.py
${PYSITELIB}/PyQuante/EN2.pyc
${PYSITELIB}/PyQuante/EN2.pyo
${PYSITELIB}/PyQuante/Element.py
${PYSITELIB}/PyQuante/Element.pyc
${PYSITELIB}/PyQuante/Element.pyo
${PYSITELIB}/PyQuante/GridPoint.py
${PYSITELIB}/PyQuante/GridPoint.pyc
${PYSITELIB}/PyQuante/GridPoint.pyo
${PYSITELIB}/PyQuante/HFGF.py
${PYSITELIB}/PyQuante/HFGF.pyc
${PYSITELIB}/PyQuante/HFGF.pyo
${PYSITELIB}/PyQuante/IO/Cube.py
${PYSITELIB}/PyQuante/IO/Cube.pyc
${PYSITELIB}/PyQuante/IO/Cube.pyo
${PYSITELIB}/PyQuante/IO/Jaguar.py
${PYSITELIB}/PyQuante/IO/Jaguar.pyc
${PYSITELIB}/PyQuante/IO/Jaguar.pyo
${PYSITELIB}/PyQuante/IO/Matlab.py
${PYSITELIB}/PyQuante/IO/Matlab.pyc
${PYSITELIB}/PyQuante/IO/Matlab.pyo
${PYSITELIB}/PyQuante/IO/Molf.py
${PYSITELIB}/PyQuante/IO/Molf.pyc
${PYSITELIB}/PyQuante/IO/Molf.pyo
${PYSITELIB}/PyQuante/IO/XYZ.py
${PYSITELIB}/PyQuante/IO/XYZ.pyc
${PYSITELIB}/PyQuante/IO/XYZ.pyo
${PYSITELIB}/PyQuante/IO/__init__.py
${PYSITELIB}/PyQuante/IO/__init__.pyc
${PYSITELIB}/PyQuante/IO/__init__.pyo
${PYSITELIB}/PyQuante/Ints.py
${PYSITELIB}/PyQuante/Ints.pyc
${PYSITELIB}/PyQuante/Ints.pyo
${PYSITELIB}/PyQuante/LA2.py
${PYSITELIB}/PyQuante/LA2.pyc
${PYSITELIB}/PyQuante/LA2.pyo
${PYSITELIB}/PyQuante/Lebedev.py
${PYSITELIB}/PyQuante/Lebedev.pyc
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${PYSITELIB}/PyQuante/Legendre.py
${PYSITELIB}/PyQuante/Legendre.pyc
${PYSITELIB}/PyQuante/Legendre.pyo
${PYSITELIB}/PyQuante/MINDO3.py
${PYSITELIB}/PyQuante/MINDO3.pyc
${PYSITELIB}/PyQuante/MINDO3.pyo
${PYSITELIB}/PyQuante/MINDO3_Parameters.py
${PYSITELIB}/PyQuante/MINDO3_Parameters.pyc
${PYSITELIB}/PyQuante/MINDO3_Parameters.pyo
${PYSITELIB}/PyQuante/MP.py
${PYSITELIB}/PyQuante/MP.pyc
${PYSITELIB}/PyQuante/MP.pyo
${PYSITELIB}/PyQuante/Minimizers.py
${PYSITELIB}/PyQuante/Minimizers.pyc
${PYSITELIB}/PyQuante/Minimizers.pyo
${PYSITELIB}/PyQuante/MolecularGrid.py
${PYSITELIB}/PyQuante/MolecularGrid.pyc
${PYSITELIB}/PyQuante/MolecularGrid.pyo
${PYSITELIB}/PyQuante/Molecule.py
${PYSITELIB}/PyQuante/Molecule.pyc
${PYSITELIB}/PyQuante/Molecule.pyo
${PYSITELIB}/PyQuante/NEB.py
${PYSITELIB}/PyQuante/NEB.pyc
${PYSITELIB}/PyQuante/NEB.pyo
${PYSITELIB}/PyQuante/NumWrap.py
${PYSITELIB}/PyQuante/NumWrap.pyc
${PYSITELIB}/PyQuante/NumWrap.pyo
${PYSITELIB}/PyQuante/OEP.py
${PYSITELIB}/PyQuante/OEP.pyc
${PYSITELIB}/PyQuante/OEP.pyo
${PYSITELIB}/PyQuante/PGBF.py
${PYSITELIB}/PyQuante/PGBF.pyc
${PYSITELIB}/PyQuante/PGBF.pyo
${PYSITELIB}/PyQuante/PyQuante2.py
${PYSITELIB}/PyQuante/PyQuante2.pyc
${PYSITELIB}/PyQuante/PyQuante2.pyo
${PYSITELIB}/PyQuante/Slater.py
${PYSITELIB}/PyQuante/Slater.pyc
${PYSITELIB}/PyQuante/Slater.pyo
${PYSITELIB}/PyQuante/Solvers.py
${PYSITELIB}/PyQuante/Solvers.pyc
${PYSITELIB}/PyQuante/Solvers.pyo
${PYSITELIB}/PyQuante/ThomasFermi.py
${PYSITELIB}/PyQuante/ThomasFermi.pyc
${PYSITELIB}/PyQuante/ThomasFermi.pyo
${PYSITELIB}/PyQuante/Util.py
${PYSITELIB}/PyQuante/Util.pyc
${PYSITELIB}/PyQuante/Util.pyo
${PYSITELIB}/PyQuante/Wavefunction.py
${PYSITELIB}/PyQuante/Wavefunction.pyc
${PYSITELIB}/PyQuante/Wavefunction.pyo
${PYSITELIB}/PyQuante/__init__.py
${PYSITELIB}/PyQuante/__init__.pyc
${PYSITELIB}/PyQuante/__init__.pyo
${PYSITELIB}/PyQuante/chgp.so
${PYSITELIB}/PyQuante/cints.so
${PYSITELIB}/PyQuante/crys.so
${PYSITELIB}/PyQuante/dft.py
${PYSITELIB}/PyQuante/dft.pyc
${PYSITELIB}/PyQuante/dft.pyo
${PYSITELIB}/PyQuante/fermi_dirac.py
${PYSITELIB}/PyQuante/fermi_dirac.pyc
${PYSITELIB}/PyQuante/fermi_dirac.pyo
${PYSITELIB}/PyQuante/force.py
${PYSITELIB}/PyQuante/force.pyc
${PYSITELIB}/PyQuante/force.pyo
${PYSITELIB}/PyQuante/hartree_fock.py
${PYSITELIB}/PyQuante/hartree_fock.pyc
${PYSITELIB}/PyQuante/hartree_fock.pyo
${PYSITELIB}/PyQuante/hgp.py
${PYSITELIB}/PyQuante/hgp.pyc
${PYSITELIB}/PyQuante/hgp.pyo
${PYSITELIB}/PyQuante/leapfrog.py
${PYSITELIB}/PyQuante/leapfrog.pyc
${PYSITELIB}/PyQuante/leapfrog.pyo
${PYSITELIB}/PyQuante/optimize.py
${PYSITELIB}/PyQuante/optimize.pyc
${PYSITELIB}/PyQuante/optimize.pyo
${PYSITELIB}/PyQuante/pressure.py
${PYSITELIB}/PyQuante/pressure.pyc
${PYSITELIB}/PyQuante/pressure.pyo
${PYSITELIB}/PyQuante/pyints.py
${PYSITELIB}/PyQuante/pyints.pyc
${PYSITELIB}/PyQuante/pyints.pyo
${PYSITELIB}/PyQuante/qmmd.py
${PYSITELIB}/PyQuante/qmmd.pyc
${PYSITELIB}/PyQuante/qmmd.pyo
${PYSITELIB}/PyQuante/rohf.py
${PYSITELIB}/PyQuante/rohf.pyc
${PYSITELIB}/PyQuante/rohf.pyo
${PYSITELIB}/PyQuante/rys.py
${PYSITELIB}/PyQuante/rys.pyc
${PYSITELIB}/PyQuante/rys.pyo
share/doc/py-pyquante/output.html
share/doc/py-pyquante/pyquante.html
share/doc/py-pyquante/userguide.html
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