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Various Octave scripts for the analysis of cadmium selenide.

Árbore: 15014666c6
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cdse-analysi...
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Kei Kebreau 15014666c6 Fix add_ligands.m to use CdSe clusters generated by generate_cdse.m. %!s(int64=5) %!d(string=hai) anos
Cd35Se20.xyz 5254c00bc8 Add new template molecules. %!s(int64=5) %!d(string=hai) anos
Cd56Se35.xyz 5254c00bc8 Add new template molecules. %!s(int64=5) %!d(string=hai) anos
Cd84Se56.xyz 5254c00bc8 Add new template molecules. %!s(int64=5) %!d(string=hai) anos
LICENSE 3e9b93b7e0 Relicense project to GPL version 3 or later where applicable. %!s(int64=5) %!d(string=hai) anos
README.md 15014666c6 Fix add_ligands.m to use CdSe clusters generated by generate_cdse.m. %!s(int64=5) %!d(string=hai) anos
add_ligands.m 15014666c6 Fix add_ligands.m to use CdSe clusters generated by generate_cdse.m. %!s(int64=5) %!d(string=hai) anos
calc_hydroxl_dist.m 3e9b93b7e0 Relicense project to GPL version 3 or later where applicable. %!s(int64=5) %!d(string=hai) anos
distancePointPlane.m 15014666c6 Fix add_ligands.m to use CdSe clusters generated by generate_cdse.m. %!s(int64=5) %!d(string=hai) anos
generate_cdse.m 15014666c6 Fix add_ligands.m to use CdSe clusters generated by generate_cdse.m. %!s(int64=5) %!d(string=hai) anos
graph_potential.m 3e9b93b7e0 Relicense project to GPL version 3 or later where applicable. %!s(int64=5) %!d(string=hai) anos
normalizeVector3d.m 15014666c6 Fix add_ligands.m to use CdSe clusters generated by generate_cdse.m. %!s(int64=5) %!d(string=hai) anos
process_log.m 3e9b93b7e0 Relicense project to GPL version 3 or later where applicable. %!s(int64=5) %!d(string=hai) anos
tetrahedron_grid.m 5c3f61b5d6 Add cluster generation script. %!s(int64=5) %!d(string=hai) anos

README.md

cdse-analysis-scripts

Various Octave scripts for the analysis of cadmium selenide.

Licensing

GNU GPL version 3 or later: add_ligands.m, calc_hydroxl_dist.m, generate_cdse.m, graph_potential.m and process_log.m. GNU LGPL version 3: tetrahedron_grid.m (credit to John Burkardt of the University of South Carolina). 2-clause BSD license: normalizeVector3d.m and distancePointPlane.m (credit to MatGeom library).