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Good Morning
While I am a new user of the New Hibridon code, I might find the issue, relating the writing to the file the cross-sections, and adiabats. I discovered that putting a flag wrxsec=true …
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Hi Anders!
We have modelled the potential as an actual box, i.e we did not just put a wall in the middle with the slits, but have also added the top, bottom and sides of the box, and set them equal…
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I compiled jdftx on NERSC Perlmutter following this website:
https://jdftx.org/Supercomputers.html
It shows an error in the output file, the details are attached
[slurm-3246040.txt](https://gith…
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I'm trying to use generics to be able to pass around an entity definition, and use kysely to operate on it. Is this possible?
With this code, calling selectAll().execute() is typed as an array - (P…
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**Describe the feature**
Title says it all.
Probably this should only be in fdf since then we can read the Hamiltonian and associate it simultaneously with the gauge.
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It looks like directions are taken in standard way. X is horizontal axis and Y is vertical.
https://github.com/robert/wavefunction-collapse/blob/093d218e79f01cbb7787b898b458cc5d174ad7cb/main.py#L5-…
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Hi Ankit,
I am benchmarking the AFQMC implementation in DQMC using different number of cores. But it seems to me that using 2 cores does not shorten the time it takes to run the same calculation. I…
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Hi,
I have successfully read the VASP output LOCPOT to use the PPAFM. But for PPSTM, it cannot read VASP output right now.
In VASP, the WAVECAR file contains predicted wavefunctions compatible w…
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### Describe Current Status and Possible Solution
It seems we are now running TDDFT by faking a MD run, the INPUT for running TDDFT is something like this:
```
calculation md
tddft…
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Hi @mfgu ,
I am wondering if it is possible to output wavefunction for the explicit spin-orbital? For instance, in the non-relativistic picture, for 2p orbital with spin up/down has a J=L+S= 3/2 o…