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Searched refs:get_element_library (Results 1 – 6 of 6) sorted by relevance

/dports/science/erkale/erkale-8297aefe5aac9dbbb291e04c07661f3cff94a99a/src/contrib/
H A Dco-opt.cpp169 ElementBasisSet get_element_library(const std::string & el, const std::vector<coprof_t> & cpl) { in get_element_library() function
218 baslib.add_element(get_element_library(element_symbols[Z],cpl)); in get_library()
H A Dco-optimize.cpp237 ElementBasisSet get_element_library(const std::string & el, const std::vector<coprof_t> & prof) { in get_element_library() function
253 baslib.add_element(get_element_library(el,prof)); in get_library()
261 ret.add_element(get_element_library(element_symbols[els[iel]],prof)); in get_library()
H A Dco-opt.h94 ElementBasisSet get_element_library(const std::string & el, const std::vector<coprof_t> & cpl);
278 baslib.add_element(get_element_library(element_symbols[Z],cpl)); in form_basis()
/dports/science/erkale-pseudopotentials/erkale-870e772f09631b3dbdd99a18e4f3d4786d684a01/src/contrib/
H A Dco-opt.cpp169 ElementBasisSet get_element_library(const std::string & el, const std::vector<coprof_t> & cpl) { in get_element_library() function
218 baslib.add_element(get_element_library(element_symbols[Z],cpl)); in get_library()
H A Dco-optimize.cpp237 ElementBasisSet get_element_library(const std::string & el, const std::vector<coprof_t> & prof) { in get_element_library() function
253 baslib.add_element(get_element_library(el,prof)); in get_library()
261 ret.add_element(get_element_library(element_symbols[els[iel]],prof)); in get_library()
H A Dco-opt.h94 ElementBasisSet get_element_library(const std::string & el, const std::vector<coprof_t> & cpl);
278 baslib.add_element(get_element_library(element_symbols[Z],cpl)); in form_basis()