exercises:2020_uzh_acpc2:ex01
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exercises:2020_uzh_acpc2:ex01 [2020/04/07 09:51] – created jglan | exercises:2020_uzh_acpc2:ex01 [2020/08/21 10:15] (current) – external edit 127.0.0.1 | ||
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</ | </ | ||
- | <note tip> | + | <note tip> |
< | < | ||
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for d in $(seq 2 0.1 4); do | for d in $(seq 2 0.1 4); do | ||
sed -e "s|4 0 0|${d} 0 0|" argon.inp > energy_${d}A.inp | sed -e "s|4 0 0|${d} 0 0|" argon.inp > energy_${d}A.inp | ||
- | cp2k.sopt -i energy_${d}A.inp -o energy_${d}A.out | + | cp2k.popt -i energy_${d}A.inp -o energy_${d}A.out |
awk '/ | awk '/ | ||
done | done | ||
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* '' | * '' | ||
* ... and using ''> | * ... and using ''> | ||
- | * Then we run '' | + | * Then we run '' |
* Using '' | * Using '' | ||
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exercises/2020_uzh_acpc2/ex01.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1