Welcome to ALM’s documentation!

Contents:

• About
  • What is ALM?
  • Features
  • Links
  • License
  • How to Cite ALM
  • Acknowledgement
  • Author & Contact
• Building ALM using conda
  • Preparing build tools by conda
  • Building ALM
• Building ALM using Makefile
  • Requirement
  • How to install
• Making input file for command line
  • Format of input file
  • List of input variables
• Using ALM from python
  • Initialization
  • Dataset: displacements and forces
  • Selection of force constants elements
  • Force constants calculation
  • Extraction of force constants values
  • LASSO and elastic net regression
  • Wrap-up and example
• How to make a DFSET file
  • Format of DFSET
  • Generation of DFSET by extract.py
• Mathematical background
  • Interatomic force constants (IFCs)
  • Symmetry relationship between IFCs
  • Constraints between IFCs
  • Estimate IFCs by linear regression
• alm
  • alm package

Indices and tables

• Index

• Module Index

• Search Page