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Create NEGF contours as TS does it, this would enable extensive inputs for transiesta and tbtrans for optimal contours and also allow researchers to experiment.
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It could be nice to implement in the `NEGF` class a method to invert the Green's function using the block tridiagonal inversion algorithm to reduce the time that this operation consumes.
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The problem only appears if we use a single command line on the IR below.
Instead, if we first do `convert-scf-to-cf`, copy the output IR to a file, and then apply `test-print-liveness` on the file,…
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Yaroslav Pavlyukh, Enrico Perfetto, Daniel Karlsson, Robert van Leeuwen, Gianluca Stefanucci
> Simulations of interacting electrons and bosons out of equilibrium, starting from first principles and…
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Hi both,
I have now created a utility which reads in `TS.ChemPots` and `TS.Contour.*` and then creates the required contours.
E.g. it could be useful for you when running open systems since you …
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Hi,
Have worked a bit on the BTD inversion. One problem there is right now is the for-loops over energy in the NEGF code, which makes the code i have a bit hard to implement in your code. I worked…
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**System information**
- Have I written custom code (as opposed to using a stock example script provided in TensorFlow): no
- OS Platform and Distribution (e.g., Linux Ubuntu 16.04): Ubuntu 21.04
…
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I propose to reorganize the code into a structure like this
* docs
* Inelastica/scripts
* Inelastica/IO
* Inelastica/core
* Inelastica/utils
* Inelastica/F90
* examples
* tests
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The way SIGN treats -0.0 in the second argument changed between F90 and F95. Most compilers use the F95 semantics by default. ifort uses F90 semantics by default but can use F95 semantics with a compi…
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The Dazzle Dart game (#868) uses floating-point instructions. 11SIM doesn't support those, so running the game results in a crash. Implement at least those instructions needed to run the game.