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Dear Developers,
I am trying to get a band structure using HopTB, and I already have Hamiltonian from DeepH. I would also like to be able to use other calculated modules.
Could you please tell me …
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MA live!をM1 macで実行することを考えているのですが、Virtual BoxがM1 macに対応していないらしいためOVAファイルをそのままでは使うことが出来ないようです。
Parallels Desktopを使うなどした抜け道があるかご存じでしょうか?
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Currently, `BasisSet`s are represented and stored by `aiida-basis` as `SingleFileData`s in AiiDA.
This implementation makes sense for numerical orbitals like OpenMX's PAOs because
0. The basis is …
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In an email from 2017-09-18, the below code was conjectured to work for multiple imputation.
```
library(EasyMx)
library(mice)
numRepl
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In [`cFit`](https://github.com/cdriveraus/ctsem/blob/master/R/ctFit.R#L207) it looks like you are hardcoding
```R
idcol='id'
obsTpoints=max(unlist(lapply(unique(dat[,idcol]),function(x) …
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This forum post had some comments on this: https://openmx.ssri.psu.edu/node/4603
The language in the help file could be extended.
> One potentially important limitation of the mxRefModels functi…
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At least for local gradient-based methods, [OpenMx](http://openmx.psyc.virginia.edu/) needs support for soft feasibility constraints expressed by returning NaN for the fit. We use these in situations …
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@mcneale wrote:
> The propagation of NAs as the result of post-multiplication by a column that includes NAs
> is a problem that needs to be trapped. Overall I think we should not break backwards
>…
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I've deployed the current parser in our oasis and running re-process on the whole database brings some issues. Specifically
```
"root":{
"errors":string"parser failed with exception"
"event":strin…
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Hi,
I've been experimenting with the `mxPath()` function lately, and have come across a problem that is probably an edge case. Adding both a directed effect and an undirected effect for the same obse…