Artem Maevskiy SiLiKhon
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| from typing import Iterable | |
| import numpy as np | |
| from ase.io import read | |
| from ase.atoms import Atoms | |
| from samos.trajectory import Trajectory | |
| from samos.analysis.get_gaussian_density import get_gaussian_density | |
| def calculate_gaussian_density( |
SiLiKhon
/ venv_detector.sh
Last active
February 19, 2026 05:35
Simple bash function to detect venvs below the current directory.
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| #!/bin/bash | |
| venvs() { | |
| local DEPTH=3 | |
| local OPTIND=1 | |
| while getopts "l:" opt; do | |
| case $opt in | |
| l) DEPTH="$OPTARG" ;; | |
| esac | |
| done |
SiLiKhon
/ define_directory_hash.sh
Last active
April 24, 2026 04:18
Defines bash function for recursive hashsum calculation over a directory
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| directory_hash() { | |
| local dir="$1" | |
| if [[ ! -d "$dir" ]]; then | |
| echo "Error: '$dir' is not a valid directory" >&2 | |
| return 1 | |
| fi | |
| dir=$(cd "$dir" && pwd) || return 1 |
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