-
[Segfault](https://github.com/dftbplus/dftbplus/issues/820) for transport only calculation.
-
Hi,
Is it possible to define the values of phi on the boundary when using Dirichlet boundary conditions ?
best
-
**Describe the bug**
Segfault
**To Reproduce**
Empty Analysis {} block for a two terminal calculation, occurs with current main repository (and probably historical versions). Occurred for so…
-
This input IR shows some missing canonicalizations that can help fusion
```
func @forward(%arg0: !hal.buffer_view, %arg1: !hal.buffer_view, %arg2: !hal.buffer_view) -> (!hal.buffer_view, !hal.buff…
-
Thanks for your work in providing such a convenient and efficient algorithm of Tight Binding framework under python.
I am wondering if the method of Podolskiy and Vogl can support an updating of TB…
-
The following IR is failing in the `FusionOfTensorOps` pass on IREE pipeline.
```
#map0 = affine_map (d0, d1)>
#map1 = affine_map (d0)>
module attributes {torch.debug_module_name = "HistogramBin…
-
Current differences between the interpreter and boot (which should be corrected at some point?):
- [ ] Quite a few constants are available in boot but not the interpreter (see the comment by @br4sco …
-
Jose Reina-Gálvez, Nicolás Lorente, Fernando Delgado, Liliana Arrachea
> We present a theoretical framework to evaluate the conditions and outcome of experiments directed to controlling quantum sys…
-
This issue serves as the master issue for the current task of getting a compiler working for mexpr.
- [x] Compilation from MExpr to intermediate OCamlish, then pretty printing. The first step only…
-
In the examples of AuH2/L9.68/TSrun, I run the command $EigenChannels ECrun, and I get a error:
SiestaIO.ReadTSHS: Reading TSHS header from ./Chain.TSHS
STOP Unsupported TSHS version file
S…