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mcsqs

Here are 2 public repositories matching this topic...

High-Entropy-Alloys

Asif-Iqbal-Bhatti / High-Entropy-Alloys

Generate random alloys and compute various properties

python machine-learning sqs vasp monte-carlo-simulation materials-science sro mcsqs materials-discovery screw-dislocations random-alloys p4vasp

Updated Nov 30, 2024
Python

JianboHIT / sqs2vasp

A python3 code to convert bestsqs.out generated by mcsqs (ATAT) to POSCAR file for VASP

sqs vasp poscar atat mcsqs

Updated Jul 14, 2023
Python

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