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Searched refs:KernelR (Results 1 – 1 of 1) sorted by relevance

/dports/science/jdftx/jdftx-1.6.0/jdftx/fluid/
H A DMolecule.cpp62 if(!KernelR.r.size()) in getLogGridKernel()
66 KernelR.r.resize(NRpts); in getLogGridKernel()
68 KernelR.r[i] = i ? (KernelR.r[i-1] * rLogScale) : rVecMin; in getLogGridKernel()
69 KernelR.dr.resize(NRpts); in getLogGridKernel()
70 KernelR.f.resize(NRpts); in getLogGridKernel()
71 KernelR.initWeights(); in getLogGridKernel()
73 return KernelR; in getLogGridKernel()
95 KernelR.f[i] = PeakedExponential(KernelR.r[i], aElec, rcElec, sigmaElec); in setup()
132 KernelR.r = rVec; in setup()
133 KernelR.f = nVec; in setup()
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