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Make sure that the data entry page uses the correct polling station information (id, number, name) from the polling station that was selected and also submit to the data entry API endpoint using the t…
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Hi and thanks for your book, that gave me the grip on haxe.
I've been troubleshooting an intresting math error, and to my greatest nightmare it turned out to be precision loss within the bigint lib…
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### Background
In calculations involving molecules such as catalysis/adsorption, the calculation of zero-point energy and molecular vibrational frequencies is very important for thermodynamic corre…
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### Details
In spherical-Bessel-based orbital generation, an important quantity is the overlap matrix between pseudo-atomic orbitals of the form
$$
\phi_{lmq}(\mathbf{r}) = j_l(\theta_q^lr/r_{cut…
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### Describe the bug
When building ABACUS on macOS using cmake (version 3.28.3), gcc, mpich, openblas and scalapack, `find_package` error is encountered when trying to find BLAS.
```
-- The CXX c…
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### Describe the bug
In ABACUS Catalysis Practice Notebook:
https://nb.bohrium.dp.tech/detail/6316830243
The NEB example need to first do relax calculation for initial and final state
But for …
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Dear Panacus,
Thank you for developing such a great program.
I’m interested in testing the "Ordered Pangenome Growth Statistics" for a PGGB GFA file. However, the manual only provides guidance f…
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### Background
At present, abacus have the choive of "cal_cond" to calculate the electronic conductivity of disordered materials (warm dense metal, for example), which is based on Kubo-Greenwood form…
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### Describe the bug
I successfully cloned the abacus-develop and installed all the required packages. However, when I try to use the `cmake -B build` command to make the software, some errors happen…
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### Describe the bug
DOS of 8 atoms Si is wrong.
Then the following attempts were made: 1. Increase the k point density in scf and nscf (up to 40 40 40) 2. Adjust dos_sigma parameters (0.05,0.07,0.1…