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Searched defs:overlapMatrix (Results 1 – 5 of 5) sorted by relevance

/dports/science/rdkit/rdkit-Release_2021_03_5/External/YAeHMOP/
H A DEHTTools.h27 std::unique_ptr<double[]> overlapMatrix; member
/dports/biology/mothur/mothur-1.46.1/source/commands/
H A Dmgclustercommand.h52 vector<seqDist> overlapMatrix; variable
/dports/science/gabedit/GabeditSrc251_300720/src/Display/
H A DOrbitalsMopac.c145 gdouble *overlapMatrix = NULL; in read_overlap_matrix_from_a_mopac_output_file_comp() local
211 gdouble *overlapMatrix = NULL; in read_overlap_matrix_from_a_mopac_output_file_nocomp() local
/dports/science/ergo/ergo-3.8/source/densfromf/
H A DGetDensFromFock.h696 symmMatrix overlapMatrix; /**< Overlap matrix (written to file) */ variable
/dports/science/ergo/ergo-3.8/source/
H A Dergo_scripted.cc1461 std::vector<ergo_real> overlapMatrix(nbast*nbast); in es_get_polarisability() local