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parse virial info in cp2k
fix double cell bug and no virial information case
…of specific type to anothor type
add the replace method to system
ASE enhance
Coordination number for RDF and PBC for water molecules.
new_energy
fix bug in cp2k coordnates units convert
migrate to github actions
remove useless py
do not support py3.5 anymore. unit test under py 3.7 and 3.8
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