gupta_minimiser_with_ppressure

Gupta minimiser for metallic nanoparticle systems. Includes geometry optimisation and report of the partial pressure per atom

Name		Name	Last commit message	Last commit date
Latest commit History 1 Commit
Examples		Examples
polynomial_coefficients		polynomial_coefficients
LICENSE		LICENSE
Makefile		Makefile
README.md		README.md
Struct.cpp		Struct.cpp
Struct.h		Struct.h
Utlities.h		Utlities.h
cError.h		cError.h
cXYZreadwrite.cpp		cXYZreadwrite.cpp
cXYZreadwrite.h		cXYZreadwrite.h
cgupta_minimiser.cpp		cgupta_minimiser.cpp
cgupta_minimiser.h		cgupta_minimiser.h
cminimiser.cpp		cminimiser.cpp
cminimiser.h		cminimiser.h
cmorse_minimiser.cpp		cmorse_minimiser.cpp
cmorse_minimiser.h		cmorse_minimiser.h
lbfgs.h		lbfgs.h
main.cpp		main.cpp

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