I noticed that this location (https://github.com/robinzyb/cp2kdata/tree/main/tests/test_dpdata/v2022.1/aimd/)have the virial.npy file by executing the IL-1.stress ,and could you conveniently upload the script for obtaining virial from cp2k aims stress data and the script for obtaining virial from cp2k single point calculation stress data?
I noticed that this location (https://github.com/robinzyb/cp2kdata/tree/main/tests/test_dpdata/v2022.1/aimd/)have the virial.npy file by executing the IL-1.stress ,and could you conveniently upload the script for obtaining virial from cp2k aims stress data and the script for obtaining virial from cp2k single point calculation stress data?