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Delley's paper on numerical atomic orbital calculations, [J. Chem. Phys. 92, 508 (1990)](https://doi.org/10.1063/1.458452), states employing a partition function (eq. 3)
$$ p_A = \frac { g_A({\bf r…
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I'm posting this issue as a place to discuss and think about our strategy for likelihood-based inference for generalized linear mixed models. Right now I've got a working likelihood function for a Mix…
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The following code
from matplotlib.pyplot import rc_context
from sympy import pi, plot, sin, sqrt, symbols
a, t, w0 = symbols('a, t, omega_0')
q = -26*sin(w0*t/2) + 13*sqrt(39)*s…
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- [ ] [JAX is NumPy on the CPU, GPU, and TPU](https://jax.readthedocs.io/en/latest/notebooks/quickstart.html)
# JAX is NumPy on the CPU, GPU, and TPU
**DESCRIPTION:** JAX Quickstart
Open in Colab […
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https://github.com/Chongyao/MarvelPhysics/blob/2140d1a39f09e1d81a7b7da161bcd08d5e666f67/Point_Sys/tests/test_energy_implicit.cc#L169-L209
If energy is nonlinear, above solve should be run iterati…
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If weightPenaltyL2 is not zero, I believe the loss function in nnff.m should take into account a regularisation term that decreases the magnitude of the weights.
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Thank you for this amazing library!
I'm using it for modeling classical behaviour of some systems. The idea is to solve complex (4-10 equations) system of ODEs with scipy's ```odeint```, while the …
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**[newInst Library report](https://libraries.openmodelica.org/branches/newInst/HelmholtzMedia/HelmholtzMedia.html), [Library coverage](https://libraries.openmodelica.org/branches/history/newInst/Helmh…
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### Name:
Runge-kutta method
### About:
The Runge-Kutta method can be used to solve common differential equations numerically. The fourth-order Runge-Kutta method (RK4) is one of the mo…
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The scipy.optimize.minimize documentation does not show which optimization algorithms satisfy constraints at every iteration, and which ones may violate the constraints.
At present, users may assume …