31 Info<<
"Writing energy and force tables to file for potential " #define forAll(list, i)
Loop across all elements in list.
const double e
Elementary charge.
A 1D array of objects of type <T>, where the size of the vector is known and used for subscript bound...
List< Pair< scalar > > energyTable() const
bool good() const
Return true if next operation might succeed.
Ostream & endl(Ostream &os)
Add newline and flush stream.
T & first()
Return the first element of the list.
List< Pair< scalar > > forceTable() const
Useful combination of include files which define Sin, Sout and Serr and the use of IO streams general...
bool writeEnergyAndForceTables(Ostream &os) const
An Ostream is an abstract base class for all output systems (streams, files, token lists...