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Soiap

Structure Optimization with InterAtomic Potential

Latest version

0.3.0, released on December 20th, 2018

  • Added the Lennard-Jones potential.

Requirement

  • Fortran compiler
    • Should support the Fortran 2003 standard.
    • Should support ERF and ERFC, which are part of the Fortran 2008 standard.
  • LAPACK

Usage

See the instructions.

License

Soiap is licensed under the Apache License, Version 2.0.

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