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Atomic-orbital Based Ab-initio Computation at UStc
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Classes | Namespaces | Variables
gen_ref.py File Reference

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'