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Determinant-based configuration interaction program.

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JayCI

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JayCI is a determinant-based configuration interaction algorithm.

Notes

Currently, molecular integrals must be written in the SIFS format of the Columbus7 electronic structure suite.

Compilers: gfortran, gcc, Intel C Compiler, Intel Fortran Compiler

Math Libraries: BLAS and LAPACK.

Authors

Christopher L. Malbon
Yarkony Group
Department of Chemistry The Johns Hopkins University

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Determinant-based configuration interaction program.

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  • C 56.1%
  • Fortran 42.2%
  • Other 1.7%