Your message dated Fri, 05 Jun 2020 16:01:48 +0800
with message-id <37a260df497383d3944a8c66a2d41...@debian.org>
and subject line no vasptools
has caused the Debian Bug report #862947,
regarding RFP: vasptools -- python module and tools for postprocessing VASP
quantum computations
to be marked as done.
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If this is not the case it is now your responsibility to reopen the
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862947: https://bugs.debian.org/cgi-bin/bugreport.cgi?bug=862947
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--- Begin Message ---
Package: wnpp
Severity: wishlist
Owner: Drew Parsons <dpars...@debian.org>
* Package name : vasptools
Version : 20142003
Upstream Author : Germain Vallverdu <germain.vallve...@univ-pau.fr>
* URL : http://gvallver.perso.univ-pau.fr/vasptools/
* License : GPL
Programming Lang: Python
Description : python module and tools for postprocessing VASP quantum
calculations
vasptools is a python module which define the class VaspRun and
provide a set of functions in order to do simple post treatments on
VASP quantum chemical calculations. The main features are the following:
- extract or plot density of state
- extract or plot bands
- get structural data
- control convergence
- simple operations on CHGCAR file (split, sum)
vasptools contains the following submodules :
- vasptools.vasprun : contains the VaspRun class which is the core part of the
module.
- vasptools.dos : density of states output functions
- vasptools.bands : energy bands output functions
- vasptools.utils : operations on CHGCAR file
- vasptools.atom : an atom class
This package also includes the independent crystal module and myxml
module, used by vasptools. crystal module provides the Crystal class
with which you can easily manipulate a crystal (lattice parameters,
coordinates conversion, etc). myxml module is used in order to read the
file vasprun.xml.
This package will be team-maintained under debichem.
--- End Message ---
--- Begin Message ---
upstream source is still not available, so closing this ITP
--- End Message ---
