adding Pair::single() support to python pair style and examples
with the single function, python pair styles can be massively sped up and made compatible to accelerators, as one can translate the analytic force and energy functions through LAMMPS into suitable tables and then simply use the on-the-fly tables for production runs
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@ -42,6 +42,7 @@ class PairPython : public Pair {
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void settings(int, char **);
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void coeff(int, char **);
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double init_one(int, int);
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double single(int, int, int, int, double, double, double, double &);
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protected:
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double cut_global;
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