tanadeyu

#!/bin/bash
# sample.md → sample.pdf 変換コマンド

# PATH設定（bash用）
export PATH="/c/Users/hello/AppData/Local/Pandoc:/c/Users/hello/AppData/Local/Programs/MiKTeX/miktex/bin/x64:$PATH"

# 確認メッセージ
echo "Running pandoc..."
pandoc --version | head -1

tanadeyu

&INPUT
    fildyn = "./tmp/h2o_liquid.dyn"
    asr = "zero-dim"
    q(1) = 0.0
    q(2) = 0.0
    q(3) = 0.0
/

tanadeyu

&INPUT
    fildyn = "./tmp/h2o.dyn"
    asr = "no"
    amass(1) = 1.008
    amass(2) = 15.999
    q(1) = 0.0
    q(2) = 0.0
    q(3) = 0.0
/

tanadeyu

&INPUT
    fildyn = "./tmp/co2.dyn"
    asr = "crystal"
    amass(1) = 12.0107
    amass(2) = 15.9994
    q(1) = 0.0
    q(2) = 0.0
    q(3) = 0.0
/

tanadeyu

&INPUT
    fildyn = "./tmp/si.dyn"
    asr = "simple"
    amass(1) = 28.0855
    q(1) = 0.0
    q(2) = 0.0
    q(3) = 0.0
/

tanadeyu

#!/bin/bash

# Quantum ESPRESSO 7.3.1 インストールスクリプト
# WSL2 + Ubuntu 環境での実行を想定
# ベストプラクティス: ./configure + make all

set -e  # エラーで停止

# 色設定
RED='\033[0;31m'