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Getting Started:

  • Introduction
  • Selected Publications
  • CALYPSO Licence

Usage:

  • 1. Getting CALYPSO
  • 2. Installation
  • 3. Quick Start
  • 4. CALYPSO Parameters
  • 5. Case Studies
  • 6. CALYPSO as a library
  • 7. Resources

Support & Feedback:

  • Acknowledgements
  • Contact Information

Development:

  • Development

API:

  • calypso package
    • Subpackages
      • calypso.calculators package
      • calypso.config package
      • calypso.data package
      • calypso.database package
      • calypso.descriptors package
      • calypso.dispatchers package
      • calypso.evolution package
      • calypso.fitnesses package
      • calypso.generators package
      • calypso.io package
      • calypso.local_env package
      • calypso.math package
      • calypso.plugins package
        • Subpackages
        • Submodules
      • calypso.runners package
      • calypso.tools package
      • calypso.utils package
    • Submodules
CALYPSO
  • calypso package
  • calypso.plugins package
  • calypso.plugins.cond_cdvae_deploy_v1 package
  • calypso.plugins.cond_cdvae_deploy_v1.pl_modules package
  • calypso.plugins.cond_cdvae_deploy_v1.pl_modules.gemnet package
  • calypso.plugins.cond_cdvae_deploy_v1.pl_modules.gemnet.layers package
  • View page source

calypso.plugins.cond_cdvae_deploy_v1.pl_modules.gemnet.layers package

Submodules

  • calypso.plugins.cond_cdvae_deploy_v1.pl_modules.gemnet.layers.atom_update_block module
  • calypso.plugins.cond_cdvae_deploy_v1.pl_modules.gemnet.layers.base_layers module
  • calypso.plugins.cond_cdvae_deploy_v1.pl_modules.gemnet.layers.basis_utils module
    • Jn()
    • Jn_zeros()
    • associated_legendre_polynomials()
    • bessel_basis()
    • real_sph_harm()
    • sph_harm_prefactor()
    • spherical_bessel_formulas()
  • calypso.plugins.cond_cdvae_deploy_v1.pl_modules.gemnet.layers.efficient module
  • calypso.plugins.cond_cdvae_deploy_v1.pl_modules.gemnet.layers.embedding_block module
  • calypso.plugins.cond_cdvae_deploy_v1.pl_modules.gemnet.layers.interaction_block module
  • calypso.plugins.cond_cdvae_deploy_v1.pl_modules.gemnet.layers.radial_basis module
  • calypso.plugins.cond_cdvae_deploy_v1.pl_modules.gemnet.layers.scaling module
  • calypso.plugins.cond_cdvae_deploy_v1.pl_modules.gemnet.layers.spherical_basis module
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