Searched defs:md_system (Results 1 – 1 of 1) sorted by relevance
33 struct md_system struct38 md_system( double a = 0.0 , // strength of harmonic oscillator in md_system() argument48 static void init_vector_type( vector_type &x ) { x.resize( 2 * n ); } in init_vector_type()50 void operator()( vector_type const& x , vector_type const& v , vector_type &a , double t ) const in operator ()()83 void bc( vector_type &x ) in bc()92 inline double lennard_jones( double r ) const in lennard_jones()118 const size_t n = md_system::n; in main() argument