9_PCMSolver

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PCMSolver Library

In Psi4, PCMSolver is a library that provides additional quantum chemical capabilities (solvation modeling).

Examples

• #####Build Bundled with Intel Fortran Compiler

  setup --pcmsolver on --fc ifort
  

• #####Build Without PCMSolver

  setup --pcmsolver off
  

• #####Build Bundled with GNU Fortran Compiler and Specific zlib

  setup --pcmsolver on --fc gfortran --zlib-dir /path/to/zlib/root
  

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Imposing your will upon CMake

• #####Relevant setup Options:

  --pcmsolver {on,off}        Enable PCMSolver external project (requires Fortran,
                              ZLIB). If this is left blank, PCMSolver will be
                              included if Fortran compiler specified, otherwise not.
                              (default: None)
  

• #####Relevant cmake Options:

  -DENABLE_PCMSOLVER=ON       - enable PCMSolver library (OFF to disable)
  

• #####Relevant Preprocessor Options:

  HAVE_PCMSOLVER              - set when PCMSolver is enabled
  

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Notes

• Dependency Status: Optional

• A Fortran compiler must be specified to enable PCMSolver.

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