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