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4 treatments in total that got repeated 15 times per treatment:
- all the previous releases data (_all)
- only use the previous release (_incremental)
- use half of the train data to learn (_redu…
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Dear developers,
When I try to download the **UPF** format pseudos for **NC FR (ONCVPSP v0.4), PBEsol** on pseudo-dojo.org, I get the wrong format (psp8 instead of UPF). Could you re-upload the pse…
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The `pymatgen.util.serialization` module was removed in `pymatgen==v2023.1.9` (see this commit https://github.com/materialsproject/pymatgen/commit/dcf9e83dbd6ee80a99bd54b1a86da88898ba5cd3).
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In the end, we should decide whether we use relative imports in the relevant places (e.g. when we are in atomate/abinit/..., just do something like `from .fireworks import scf_fw`).
Pros: more conc…
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Hi all,
After discussion with @mkhorton and @utf, we are planning to add a GW workflow based on VASP. Please let us know if you think this is a good thing to do.
Also, we want to ensure our effo…
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I cannot compile abinit with fftw and threads enabled.
The problem seems to be that `./src/66_wfs/m_getghc.F90` is using a function defined in `m_fftw3`, but there is apparently no `use` statement,…
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In a freshly installed 23.04.03 version of Quantum Mobile, one cannot run pw.x. The PATH does not include it. An extra
export PATH="./.conda/envs/qespresso/bin:$PATH"
is needed. This probably …
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Are there any write ups on the format of either g-space or real-space inputs? e.g. To implement QE 6.2 , ABINIT, QBox, or a real space code, where should one look?
The manual https://docs.qmcpack.o…
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Despite passing `-fallow-argument-mismatch `, the build still fails:
```
/opt/local/bin/mpif90-mpich-mp -DHAVE_CONFIG_H -I. -I../.. -I../../shared/common/src/10_defs -I../../shared/common/src/10_de…
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**RQ1: Are traditional method of keywords searches of commits with defect prediction on release levels performing well?**