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Searched refs:lenjon (Results 1 – 3 of 3) sorted by relevance

/dports/science/libghemical/libghemical-3.0.0/src/
H A Deng1_sf.h89 f64 lenjon; member
H A Deng1_sf.cpp51 prm.lenjon = 1.225; in eng1_sf_param_SetDefaultValues()
119 tprm.lenjon = sprm.lenjon; in eng1_sf_param_MakeCopy()
3062 opte = lookup[index].opte * myprm->lenjon; in InitNBT1()
3081 opte = 0.95 * myprm->lenjon; in InitNBT1()
/dports/science/openbabel/openbabel-3.1.1/data/
H A Dghemical.prm415 // lenjon-parameters 09.05.2000 (based on Tripos 5.2 and MMFF94)