LIBINT
2.1.0-stable
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ShellPair pre-computes shell-pair data, primitive pairs are screened to finite precision. More...
#include <shell.h>
Classes | |
struct | PrimPairData |
Public Types | |
typedef Shell::real_t | real_t |
Public Member Functions | |
ShellPair (size_t max_nprim) | |
void | init (const Shell &s1, const Shell &s2, const real_t &ln_prec) |
Public Attributes | |
std::vector< PrimPairData > | primpairs |
real_t | AB [3] |
ShellPair pre-computes shell-pair data, primitive pairs are screened to finite precision.