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/dports/science/jdftx/jdftx-1.6.0/jdftx/electronic/
H A DDumpExcitationsMoments.cpp202 const double Kcut = 1e-8; //threshold for non-zero matrix element in dumpFCI() local
286 if(K1234.abs() > Kcut) in dumpFCI()
287 { if(fabs(K1234.imag()) > Kcut) in dumpFCI()
378 if(M.abs() > Kcut) in dumpFCI()
379 { if(fabs(M.imag()) > Kcut) in dumpFCI()
392 if(fabs(Eewald) > Kcut) in dumpFCI()
/dports/science/lammps/lammps-stable_29Sep2021/examples/dreiding/
H A Dch3oh.box.dreiding.cerius2.eng.dat33 Eta=3.932, Rcut=11.530, Kcut=0.298, Acc.=0.001