ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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Classes | |
class | gen_ref.Case |
Namespaces | |
namespace | gen_ref |
Variables | |
list | gen_ref.cases |
int | gen_ref.n_interp = 37 |
gen_ref.cubspl = CubicSpline(case.x, case.y, bc_type=case.bc) | |
gen_ref.x_interp = np.linspace(case.x[0], case.x[-1], n_interp) | |
gen_ref.y_interp = cubspl(x_interp) | |
gen_ref.dy_interp = cubspl(x_interp, 1) | |
gen_ref.d2y_interp = cubspl(x_interp, 2) | |
str | gen_ref.tag = 1 else 'second_deriv' |