mirror of https://gitlab.com/QEF/q-e.git
259417c075
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| .. | ||
| README.txt | ||
| benchmark.out.git.inp=ph.in.01.args=2 | ||
| benchmark.out.git.inp=ph.in.02.args=2 | ||
| benchmark.out.git.inp=ph.in.03.args=2 | ||
| benchmark.out.git.inp=ph.in.04.args=13 | ||
| benchmark.out.git.inp=scf.in.args=12 | ||
| multipole.py | ||
| ph.in | ||
| ph.in.01 | ||
| ph.in.02 | ||
| ph.in.03 | ||
| ph.in.04 | ||
| scf.in | ||
README.txt
# # SP: This test is a bit specific and involves a Python script with spglib dependence # The dependendencies have been checked with a clean conda environment conda create --name test python=3.9 conda activate test pip install spglib multipole.py can be run with (suggsted) or without (default) ase In case you are on a cluster without remote access, you may have to install it differently. In which case, you also need to comment out the pip install line in ../run-ph.sh and look for case number 12.