Registered
by
Yann Pouillon
Libpspio is a library to perform I/O operations on pseudopotential data files.
Libpspio makes it easy to read and write pseudoptential data in various formats. Its main objective is to allow for the reading of any pseudopotential format from any Density-Functional Theory (DFT) code without knowing any detail about the formats themselves. Libpspio strictly focuses on making the data available and does not embed any atomic code. It is however possible to convert some formats into some others.
Project information
- Licence:
- GNU LGPL v3
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trunk series is the current focus of development.
All bugs Latest bugs reported
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Bug #1353486: Change the info string into a proper structure holding miscellaneous information
Reported -
Bug #1349505: test_fortran_io fails with PSPIO_EFILE_CORRUPT
Reported -
Bug #1349168: Another spline implementation logistics
Reported -
Bug #1349107: Stabilize fortran interface
Reported -
Bug #1348900: Add evaluation of integrals
Reported