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Searched refs:charge_pKa (Results 1 – 2 of 2) sorted by relevance

/dports/science/libghemical/libghemical-3.0.0/src/
H A Deng1_sf.cpp89 prm.charge_pKa[0] = 7.830; in eng1_sf_param_SetDefaultValues()
90 prm.charge_pKa[1] = 4.651; in eng1_sf_param_SetDefaultValues()
91 prm.charge_pKa[2] = 11.5; in eng1_sf_param_SetDefaultValues()
92 prm.charge_pKa[3] = 5.069; in eng1_sf_param_SetDefaultValues()
93 prm.charge_pKa[4] = 9.5; in eng1_sf_param_SetDefaultValues()
94 prm.charge_pKa[5] = 6.319; in eng1_sf_param_SetDefaultValues()
95 prm.charge_pKa[6] = 6.088; in eng1_sf_param_SetDefaultValues()
96 prm.charge_pKa[7] = 10.64; in eng1_sf_param_SetDefaultValues()
97 prm.charge_pKa[8] = 10.81; in eng1_sf_param_SetDefaultValues()
151 tprm.charge_pKa[n1] = sprm.charge_pKa[n1]; in eng1_sf_param_MakeCopy()
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H A Deng1_sf.h115 f64 charge_pKa[9]; member