Capolanco#33

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capolanco wants to merge 19 commits intoExabyte-io:devfrom

capolanco:capolanco

Commits on Oct 13, 2020

Minor clarification
timurbazhirov
committed

Commits on Mar 28, 2022

Commits on Apr 12, 2022

Commits on Sep 6, 2022

fix: links in README
timurbazhirov
authored

Commits on Dec 6, 2022

Did the initial structe of the code. Create a class to handle QE input files. Create functions to read the input and create other inputs base on the class. For the moment this only works for kgrid.
cpolanco
committed

Commits on Dec 7, 2022

The core convergence program is working. The code iterates on fictituos files until achieving convergence. This program should work in principle for any valid input given in QE
cpolanco
committed

Commits on Dec 8, 2022

Added support to send the QE calculations to the cluster. For that created a class to handle cluster jobs.
cpolanco
committed