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Not sure if this is already accounted for in some roadmap/mega issue thread but,
```
julia> using Symbolics
julia> @variables t
1-element Vector{Num}:
t
julia> a = rand(2,2);
julia> exp(a*t)
ERR…
Moelf updated
2 years ago
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**Is your feature request related to a problem? Please describe.**
A Hamiltonian cycle (or Hamiltonian circuit) is a Hamiltonian path that is a cycle. Determining whether such paths and cycles exist …
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It would be good to toggle on or off real vs complex arithmetic.
Right now we (for the most part) treat everything as complex-valued, because the goal at the time was to allow for real-time electro…
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Dear developers,
I checked the example 24-k_points_vs_gamma.py in pyscf/examples/pbc/.
It gives the following results:
Difference between gamma/k-point mean-field calculation = 6.197709012667…
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Following the end of the discussion in https://github.com/qutip/qutip-jax/issues/26 - I am working on the qutip-jax-dia branch and tried to implement cubic splines from jax_cosmo for a time dependent …
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During the construction of Isomtetry, we will need the ground state for a hamiltonian. The problems are
1. Single site methods don't converge well enough
2. Double site methods cannot retrieve sin…
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**Description:**
I am experiencing issues with the DeepSolid code while calculating the ground state energy of 222 supercell, bcc Hydrogen. Despite trying multiple hyperparameters, such as learning r…
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# Croatian Olympiad in Informatics 2024 | errorgorn’s blog
I virtualed the contest at the latest possible time. Was quite late, so I probably quit at around the halfway mark because P3 seemed impossi…
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### Background
The current version of ABACUS can only support training DeePKS model on energy, force, stress, bandgap etc.
But it can't support training on Hamiltonian, as well as its eigenvalues (b…
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I think it would be cool to have some convenience function
like:
sphinx_base.addSetting ("PAWHamiltonian/dipoleCorrection")
or sphinx_base.addSetting ("/main/scfDiag/blockCG/nSloppy", 10)
or sphi…