Пакет: gausssum (3.0.2-2)

[ Източник: gausssum  ]

parse and display Gaussian, GAMESS, and etc's output

GaussSum parses the output files of ADF, GAMESS, GAMESS-UK, Gaussian, Jaguar and PC GAMESS calculations to extract useful information.

GaussSum uses GNUPlot to display the progress of geometry optimisations, density of states spectrum, UV-VIS spectra, IR spectra, Raman spectra, and electron density difference maps. It can also display all lines containing an arbitrary phrase and more.

Етикети: Field: Chemistry, Implemented in: Питон, Role: Program

Други пакети, свързани с gausssum

• dep: gnuplot

  Command-line driven interactive plotting program.
  също и виртуален пакет, предлаган от gnuplot-nox, gnuplot-qt, gnuplot-x11

• dep: python3

  interactive high-level object-oriented language (default python3 version)

• dep: python3-cclib

  Parsers and algorithms for computational chemistry (Python3 module)

• dep: python3-matplotlib

  Python based plotting system in a style similar to Matlab

• dep: python3-numpy

  Fast array facility to the Python language (Python 3)

• dep: python3-tk

  Tkinter - Writing Tk applications with Python 3.x

Изтегляне на gausssum

Изтегляне за всички налични архитектури

Архитектура	Големина на пакета	Големина след инсталиране	Файлове
all	95,7 кБ	349,0 кБ	[списък на файловете]