Horton-Part
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User Documentation

  • Installation
    • Downloading the Code
    • Installing
    • Running Tests
    • Building the Documentation
    • Dependencies

Quick Start

  • From Command Line

Example Tutorials

  • Prepare Molecular Density and Grid
  • Iterative Stockholder Analysis (ISA) method
  • Gaussian Iterative Stockholder Analysis (GISA) method
    • Quadprog Solver
      • Using API
      • Customized Implementation
    • CVXOPT Solver
      • Using API
      • Customized Implementation
    • ECOS Sovler
    • OSQP Solver
    • Customized SLSQP Solver
    • Customized Least-Square Sovler
  • Minimum Basis Iterative Stockholder (MBIS) scheme
  • Alternating Linear approximation of the ISA (aLISA) method
    • Non-linear optimization problem
      • Convex optimization method
      • Trust-region method
    • Non-linear equations (fixed-point equations)
      • Self-consistent method
      • Direct Inversion in Iterative Space (DIIS)
      • Newton Method
    • Customized Methods
  • New Direct Inversion in Iterative Space (DIIS)
  • Global Linear approximation of the ISA (gLISA) method
    • Non-linear optimization problem
      • Convex optimization method
      • Trust-region method
    • Non-linear equations (fixed-point equations)
      • Self-consistent method
      • Direct Inversion of Iterative Space (DIIS)
  • (Iterative) Hirshfeld method
    • Hirshfeld method
    • Iterative Hirshfeld method
  • Mulliken method

API Documentation

  • horton_part
    • horton_part package
      • Subpackages
        • horton_part.algo package
        • horton_part.core package
        • horton_part.scripts package
      • Submodules
        • horton_part.alisa module
        • horton_part.becke module
        • horton_part.gisa module
        • horton_part.glisa module
        • horton_part.gmbis module
        • horton_part.hirshfeld module
        • horton_part.hirshfeld_i module
        • horton_part.isa module
        • horton_part.mbis module
        • horton_part.mulliken module
        • horton_part.nlis module
        • horton_part.utils module
      • Module contents
Horton-Part
  • Python Module Index

Python Module Index

h
 
h
- horton_part
    horton_part.algo
    horton_part.algo.cdiis
    horton_part.algo.diis
    horton_part.algo.quasi_newton
    horton_part.alisa
    horton_part.becke
    horton_part.core
    horton_part.core.base
    horton_part.core.basis
    horton_part.core.cache
    horton_part.core.iterstock
    horton_part.core.logging
    horton_part.core.proatomdb
    horton_part.core.stockholder
    horton_part.gisa
    horton_part.glisa
    horton_part.gmbis
    horton_part.hirshfeld
    horton_part.hirshfeld_i
    horton_part.isa
    horton_part.mbis
    horton_part.mulliken
    horton_part.nlis
    horton_part.scripts
    horton_part.scripts.generate_cube
    horton_part.scripts.generate_density
    horton_part.scripts.partition_density
    horton_part.scripts.program
    horton_part.utils

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