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Update for qe v7.2 #444

Merged
merged 2 commits into from
Apr 3, 2023
Merged

Update for qe v7.2 #444

merged 2 commits into from
Apr 3, 2023

Commits on Apr 2, 2023

  1. Update for qe v7.2 

    From QE v7.2, pw.x prints each contributions to forces acting on atoms (i.e. non-local, ionic, local, core correction, etc...), right after original 'Forces acting on atoms' without blank line.
Thus, it make 'list index out of range' error, from ret.append(...) in get_force.

This changes make length of list blk in get_forces same as total number of atoms, avoiding out of range error.


Signed-off-by: pee8379 <pee8379@users.noreply.github.com>
    @pee8379
    pee8379 authored Apr 2, 2023
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  2. [pre-commit.ci] auto fixes from pre-commit.com hooks 

    for more information, see https://pre-commit.ci
    @pre-commit-ci
    pre-commit-ci[bot] committed Apr 2, 2023
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