libderiv-1.1.4-alt1_11.x86_64.rpm


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Description

libderiv - A library for computing derivatives of electron repulsion integrals

Distribution: ALT Linux Sisyphus
Repository: Classic x86_64
Package name: libderiv
Package version: 1.1.4
Package release: alt1_11
Package architecture: x86_64
Package type: rpm
Installed size: 19.01 MB
Download size: 19.01 MB
Official Mirror: ftp.altlinux.org
libderiv computes first and second derivatives of ERIs with respect to the coordinates of the basis function origin. This type of integrals are also very common in electronic structure theory, where they appear in analytic gradient expressions. The derivatives are typically used in the calculation of forces.

Alternatives

Requires

Provides

  • libderiv = 1.1.4-alt1_11
  • libderiv-stable.so.1()(64bit)

    Download

    Install Howto

    1. Add the following line to /etc/apt/sources.list:
      rpm [Sisyphus] http://ftp.altlinux.org/pub/distributions/ALTLinux/Sisyphus x86_64 classic
      rpm [Sisyphus] http://ftp.altlinux.org/pub/distributions/ALTLinux/Sisyphus noarch classic
      
    2. Update the package index:
      # sudo apt-get update
    3. Install libderiv rpm package:
      # sudo apt-get install libderiv

    Files

    • /usr/lib64/libderiv-stable.so.1
    • /usr/lib64/libderiv-stable.so.1.0.0

    Changelog

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