/exhaustive-gs-sidb

Exhaustively search for the ground state charge configuration in given Si-DB assemblies.

Primary LanguageC++Apache License 2.0Apache-2.0

exhaustive-gs-sidb

Exhaustively search for the ground state electron configuration in a given Si-DB layout.

Depends on SiQADConnector made available through SWIG from SiQAD's repository. After creating the SWIG wrapper for SiQADConnector (siqadconn.py and _siqadconn.*.{so,pyd}), copy them to the src directory.

After compiling the Python wrapper, you may use the script wrapper_validation.py to validate that the SWIG wrapper works as intended.