unit-cell-optimisation

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tgruene / cellopt

Optimisation of unit cell parameters in SHELXL ins- or res-file from geometric restraints (DFIX and DANG). This is a different implementation, but same concept as in https://github.com/JLuebben/CellOpt

crystallography optmisation unit-cell-optimisation

Updated Mar 4, 2022
C++

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