Introduction+to+Dalton

=The Dalton 2011 Quantum Chemistry Package=


 * Becklab info: Licensed to TPP, anyone in lab can use it though.**

Installation procedure
code format="bash" group.add_argument('--cmake',           action='store',            default='cmake-2.8',            help='set the cmake command [default: cmake; e.g. --cmake cmake28]',            metavar='STRING') code
 * Prerequisite: CMake v. 2.8 (untar the latest binary somewhere, add to path)
 * Make the adjustment below (I made a symbolic link ln -s cmake cmake-2.8)
 * Run the setup/configure script as ./setup --mpi
 * cd build
 * make (and wait)

The above procedure compiles whatever math library it finds and the highest FC, CC, CXX compilers it finds -- ranking is Intel > gXX. Math libraries will be revisited. But for now, here's the link so I don't forget where to look.

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Usage (EXAMPLES!):

 * coming...*

TPP 11/2013