RElt Activity
calculates overlap, kinetic integrals for numerical atomic orbitals.
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Activity for RElt
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RElt released /relt-1.0.tar.gz
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Zbigniew Romanowski committed [r46]
Revision 1.0
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Function main: results generation.
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Class SpherHarm: uninitialized variables were removed.
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Class SpherHarm: uninitialized variables were removed.
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Class SpherHarm: white spaces.
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Class OverlapFun: uninitialized variables were removed.
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Class OverlapFun: members were reordered.
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Class OverlapFun: white spaces.
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Class KineticFun: uninitialized variables were removed.
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Class KineticFun: members were reordered.
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Class KineticFun: white spaces.
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Class MtxElt: uninitialized variables were removed.
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Function MtxElt::I2 simplified.
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Class MtxElt: const varaiables.
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Class MtxElt: const members.
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Class MtxElt: 'size_t' was changed to 'std::size_t'.
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Class MtxElt: white spaces added.
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Class MtxElt: object Fun2D is passed by reference.
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Class IntegRec: object Fun2D is passed by reference.
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Class IntegRec: uninitialized variables were removed.
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Class IntegRec: 'size_t' was changed to 'std:size_t'.
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Class IntegRec: white spaces added.
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Class AoNto: uninitialized variables were removed.
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Function AoSto::Info: function 'sprintf' was changed by 'std::to_string'.
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Class AoSto: uninitialized variables were removed.
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Class AoSto white spaces added.
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Function AoNum::Info: function 'sprintf' was changed by 'std::to_string'.
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Class AoNum: 'type 'size_t' changed to 'std::size_t'.
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AoNum::AoNum: the asserts were moved to the base class Ao.
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Class AoNum white spaces added.
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Class Ao white spaces added.
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In class Ao, AoNum, AoSto members are now constants.
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In class AoNum and AoSto 'override' keywords are added.
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Utils - cleanup.
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The first import.
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Class SpherHarm - cleanup.
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Class AoNum - cleanup.
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Class Fun2D - cleanup.
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Add initial directories
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Class IntegRec - cleanup.
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Class OverlapFun - cleanup.
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Class MtxElt - cleanup.
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README is created.
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Utils - cleanup.
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Class Ao - cleanup.
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Class AoSto - cleanup.
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