PCMSolver Users’ Manual

• Building the module
  • Prerequisites and dependencies
    • Compilers
    • Libraries and toolchain programs
  • Configuration
    • Getting Boost
    • Advanced configuration options
  • Build and test
• Input description
  • Input style
• Input parameters
  • Top section keywords
  • Cavity section keywords
  • Medium section keywords
  • Green section keywords
  • Molecule section keywords
  • ChargeDistribution section keywords
  • MMFQ section keywords
  • Available radii
  • Available solvents
• Interfacing a QM program and PCMSolver
  • For the impatients: tl;dr
  • How PCMSolver handles potentials and charges: surface functions
  • What you should care about: API functions
  • Host input forwarding
  • Internal details of the API
• Interfacing with a Fortran host
• Interfacing with a C host