9_ERD

STOP! This page is out-of-date and is superseded by the docs

ERD Library

In Psi4, ERD is an integral package that be used in place of LibInt.

Examples

• #####Build with LibInt Integrals

  setup
  

• #####Build with ERD Integrals and Intel Fortran Compiler

  setup --erd on --fc ifort
  

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Imposing your will upon CMake

• #####Relevant setup Options:

  --erd                 Add support for the ERD integral package [default:
                        False]
  

• #####Relevant cmake Options:

  -DENABLE_LIBERD=ON    - enable ERD integral package (OFF to disable)
  

• #####Relevant Preprocessor Options:

  HAVE_ERD              - set when ERD is enabled
  

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Notes

• Dependency Status: Optional

• ATTN Bullet point here about whether ERD is a full replacement for LibInt or if it's missing some functionality.

• A Fortran compiler must be specified to enable ERD

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