Literature DB >> 32209737

f90wrap: an automated tool for constructing deep Python interfaces to modern Fortran codes.

James R Kermode1.   

Abstract

f90wrap is a tool to automatically generate Python extension modules which interface to Fortran libraries that makes use of derived types. It builds on the capabilities of the popular f2py utility by generating a simpler Fortran 90 interface to the original Fortran code which is then suitable for wrapping with f2py, together with a higher-level Pythonic wrapper that makes the existance of an additional layer transparent to the final user. f90wrap has been used to wrap a number of large software packages of relevance to the condensed matter physics community, including the QUIP molecular dynamics code and the CASTEP density functional theory code.

Year:  2020        PMID: 32209737     DOI: 10.1088/1361-648X/ab82d2

Source DB:  PubMed          Journal:  J Phys Condens Matter        ISSN: 0953-8984            Impact factor:   2.333


  1 in total

1.  A machine learning protocol for revealing ion transport mechanisms from dynamic NMR shifts in paramagnetic battery materials.

Authors:  Min Lin; Jingfang Xiong; Mintao Su; Feng Wang; Xiangsi Liu; Yifan Hou; Riqiang Fu; Yong Yang; Jun Cheng
Journal:  Chem Sci       Date:  2022-06-13       Impact factor: 9.969

  1 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.