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VASP_MD_XDAT
VASP_MD_XDAT PublicThis code deals with MD trajectory from VASP. It calculates lattice parameters, RMSD, and coordination number and also generates .xyz output.
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blockingmethod
blockingmethod PublicThis Fortran code calculates statistical uncertainty by using the blocking method. Ref: H. Flyvbjerg, J. Chem. Phys. 91, 461 (1989)
Fortran 1
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build-instructions
build-instructions PublicForked from hpc-uk/build-instructions
Contains build scripts and instructions for software on a variety of UK HPC resources
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