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https://arxiv.org/abs/2001.04826
Seems like a good GSoC.
@ranocha
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As mentioned [on the website](https://radis.readthedocs.io/en/latest/references/references.html#spectroscopic-constants)
- [x] first make it possible to choose different spectroscopic constants
-…
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The current ```potts_exchange``` and ```potts_field``` functions where $q$ is a parameter is defined in such a way that only $q=3$ is correct.
The Hamiltonian for the Q-state Potts model is
$$H = -\…
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SDE:
- [x] Milstein
- [x] Euler-Heun
- [ ] SRKs (Additive)
- [ ] Talay (Ito commutative)
Implict:
- [ ] BDF
- [ ] Rosenbrock methods
- [x] IMEX methods, e.g. http://dx.doi.org/10.1175/mwr-d-…
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H2/STO-3G should become a 1-qubit problem, and the data in Table I of the paper can be reproduced. But we can explore far larger systems that are closer to what classical quantum chemists are interest…
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I've been thinking about the initialization of the SCF environments recently. Currently, we offer three named ways to initialize and set up SCF environments:
https://github.com/GQCG/GQCP/blob/3fa11…
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Hello everyone,
I am seeking help to improve my training process. I have worked for Silicon as an example, and I want to enhance prediction accuracy. Here are the details of my training setup.
I u…
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Hi, I am absolutely new to diffrax and trying to get the basics of it (great work by the way).
I am a bit confused concerning the syntax for solving systems of ODEs. In the documentation discussin…
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Hi,
I have a question that may or may not be outside the scope of emcee.
I am trying to replicate work found here using emcee: http://asa.scitation.org/doi/10.1121/1.5017840
This work tries to in…
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- [ ] A 3-level system example (closed-system version)
- [ ] A 3-level system example (AME version)