FPMS code with an interface to electronic structure codes
نویسندگان
چکیده
منابع مشابه
An object-oriented scripting interface to a legacy electronic structure code
spread in almost all computing fields, but in computational physics and chemistry its use has been quite modest until recently. One reason for this lag is the dominant focus on speed and a common disregard for the user interface. Another reason is that many of the production codes in computational physics and chemistry trace their histories back to when OOP was immature. This situation is gradu...
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ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations and Advances
سال: 2017
ISSN: 2053-2733
DOI: 10.1107/s2053273317089574