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pycrystal
crystal
crystallography
computational-chemistry
abinitio
abinitio-simulations
atomistic-simulations
computational-materials
crystal-ab-initio
crystal-structure
emsl
first-principles
gaussian
gaussian-lcao
materials-science
Utilities for ab initio modeling suite CRYSTAL, developed in Turin University
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pycrystal
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blokhin
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about 5 hours ago
March 21, 2026
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CrystalDoc.info
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Python
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