Gemmi C++ API
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#include <it92.hpp>
Public Types | |
using | Coef = GaussianCoef< 4, 1, Real > |
Static Public Member Functions | |
static bool | has (El el) |
static Coef & | get (El el, signed char charge) |
static Coef * | get_exact (El el, signed char charge) |
static void | normalize_one (Coef &f, int n) |
static void | normalize () |
Static Public Attributes | |
static Coef | data [99+112] |
static std::pair< El, signed char > | ion_list [112] |
static bool | ignore_charge = false |
using gemmi::IT92< Real >::Coef = GaussianCoef<4, 1, Real> |