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lammps_interface
lammps_interface PublicForked from peteboyd/lammps_interface
automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs
Python
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openmx-hks
openmx-hks PublicForked from pulkin/openmx-hks
A tool to read and operate OpenMX HKS (Kohn-Sham Hamiltonian) files
C
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molpy
molpy PublicForked from MolCrafts/molpy
A data structure used to describe molecules in computational chemistry, just like numpy in data science
Python
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cp2k
cp2k PublicForked from mkrack/cp2k
Quantum chemistry and solid state physics software package
Fortran
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