ALM
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Contents:
About
Building ALM using conda
Building ALM using Makefile
Making input file for command line
Using ALM from python
How to make a DFSET file
Mathematical background
alm
ALM
Welcome to ALM’s documentation!
Edit on GitHub
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
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