Choon Wee

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icon company Institute of Sustainability for Chemicals, Energy and Environment icon location Singapore

Results 1 issues of Choon Wee

MGP from AIMD_GP freeze after a fixed number of steps in LAMMPS

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**Describe the bug** Greetings, I have used the gp_from_aimd to obtain a "gp_from_aimd_model.pickle" which I then used the MappedGaussianProcess to generate the mgp file for LAMMPS. I used the 31...