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DryChem 1.0.0
A generic, compile-time C++ toolbox with no dependencies for the modern computational chemistry project.
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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]) |