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SandCV++


Toolbox to create Smooth and nonlinear data-driven Collective Variables (SandCV)

Environment variables:

  • MKLROOT : Path to MKL (e.g. /opt/intel/composer_xe_2015/mkl)
  • MATLABROOT : Path to MATLAB (e.g. /Applications/MATLAB_R2015b.app)

Dependencies:

  • Intel Math Kernel Library (MKL)
  • TCL [tcl-dev] (Only for "Interfaces")
  • Swig [swig2.0] (Only for "Interfaces")