DryChem 1.0.0
A generic, compile-time C++ toolbox with no dependencies for the modern computational chemistry project.
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validate.py File Reference

Namespaces

namespace  validate
 

Variables

 validate.x = np.linspace(0, 10000.1, 100002)
 
tuple validate.y = (4 * x**2) + (2 * x) - 7
 
 validate.derivative1st = np.gradient(y, x)
 
 validate.integral2nd = integrate.cumtrapz(derivative1st, x, initial=0.0)
 
 validate.integral1st = integrate.cumtrapz(y, x, initial=0.0)
 
 validate.derivative2nd = np.gradient(integral1st, x)
 
int validate.counter1 = 0
 
int validate.counter2 = 0
 
int validate.tolerance = 2 * (x[1] - x[0])