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ergo
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Ergo-specific GridStream implementation. More...
Public Member Functions | |
| ErgoGridStream (const Dft::GridParams &gss, const GridGenMolInfo &molInfo, RadialScheme *rs) | |
Public Attributes | |
| const Dft::GridParams & | gsSettings |
Private Attributes | |
| Grid::ActiveBfShells | ergoShells |
Ergo-specific GridStream implementation.
| ErgoGridStream::ErgoGridStream | ( | const Dft::GridParams & | gss, |
| const GridGenMolInfo & | molInfo, | ||
| RadialScheme * | rs | ||
| ) |
References GridGenMolInfo::noOfAtoms, charge, and GridGenMolInfo::getAtom().
Grid::ActiveBfShells ErgoGridStream::ergoShells [private] |
Referenced by grid_stream_generate().