{"library":"castepxbin","type":"library","category":null,"description":"castepxbin is a collection of Python readers for various binary output files generated by CASTEP, a first-principles quantum mechanics code. It enables parsing of data like projected density of states (.pdos_bin), checkpoint files (.castep_bin), optical matrix elements (.ome_bin, .ome_cst), and wave functions (.check). The current version is 0.3.1, with releases occurring irregularly, primarily driven by new feature additions and compatibility fixes.","language":"python","status":"active","version":"0.3.1","tags":["CASTEP","DFT","materials science","binary files","data parsing","quantum chemistry"],"install":[{"cmd":"pip install castepxbin","imports":["from castepxbin import read_pdos_bin","from castepxbin import read_castep_bin","from castepxbin import read_ome_bin"]}],"homepage":null,"github":"https://github.com/zhubonan/castepxbin","docs":"https://zhubonan.github.io/castepxbin/","changelog":null,"pypi":"https://pypi.org/project/castepxbin/","npm":null,"openapi_spec":null,"status_page":null,"smithery":null,"compatibility":{"summary":{"python_range":"3.10–3.9","success_rate":100,"avg_install_s":7.4,"avg_import_s":null,"wheel_type":"wheel"},"url":"https://checklist.day/v1/registry/castepxbin/compatibility"},"provenance":{"verified_status":"passing","verified_at":"Tue Jun 30","last_verified":"Tue Jun 30","next_check":"Thu Jul 30","install_tag":null}}