pyssianutils

Quick Start

  • Installation
  • Basic Usage

Main Utils

  • init, clean & pack
  • defaults
  • print
  • plot
  • submit
  • slurm
  • toxyz
  • inputht
  • asinput
  • distort-ts
  • others

Python API

  • pyssianutils API
pyssianutils
  • Index

Index

A | C | D | G | L | M | N | P | R | T | W

A

  • add_parser_as_subparser() (in module pyssianutils.utils)

C

  • check_initialization() (in module pyssianutils.initialize)
  • create_folders() (pyssianutils.utils.DirectoryTree method)
  • create_parser() (in module pyssianutils.utils)

D

  • DirectoryTree (class in pyssianutils.utils)

G

  • get_appdir() (in module pyssianutils.initialize)
  • get_resourcesdir() (in module pyssianutils.initialize)

L

  • load_app_defaults() (in module pyssianutils.initialize)

M

  • module
    • pyssianutils.initialize
    • pyssianutils.plot.property
    • pyssianutils.submit
    • pyssianutils.utils

N

  • newpath() (pyssianutils.utils.DirectoryTree method)

P

  • print_convergence() (in module pyssianutils.utils)
  • print_thermo() (in module pyssianutils.utils)
  • pyssianutils.initialize
    • module
  • pyssianutils.plot.property
    • module
  • pyssianutils.submit
    • module
  • pyssianutils.utils
    • module

R

  • RecursiveFileSystemGenerator() (pyssianutils.utils.DirectoryTree static method)
  • register_main() (in module pyssianutils.utils)

T

  • thermochemistry() (in module pyssianutils.utils)

W

  • write_2_file() (in module pyssianutils.utils)

© Copyright 2021, PĂ©rez-Soto, R.; Besora, M.; Maseras, F..

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