The Massively Parallel Quantum Chemistry program, MPQC, computes properties of atoms and molecules from first principles using the time independent Schrödinger equation.
/Users/evaleev/Development/workspace/mpqc/src/lib/chemistry/qc/scf/taclscf_test.cpp:76:32: error:
allocating an object of abstract class type 'Mock_CLSCF'
Ref tscf = new Mock_CLSCF(akv);
^
/Users/evaleev/Development/workspace/mpqc/src/lib/chemistry/qc/scf/tascf.hpp:127:20: note:
unimplemented pure virtual method 'compute_ao_fock' in 'Mock_CLSCF'
virtual void compute_ao_fock(double) = 0;
^
/Users/evaleev/Development/workspace/mpqc/src/lib/chemistry/qc/scf/taclscf_test.cpp:78:40: error:
no member named 'overlap' in 'Mock_CLSCF'
std::cout << "Overlap \n" << tscf->overlap() << std::endl;
evaleev
commented
8 years ago
/Users/evaleev/Development/workspace/mpqc/src/lib/chemistry/qc/scf/taclscf_test.cpp:76:32: error: allocating an object of abstract class type 'Mock_CLSCF' Ref tscf = new Mock_CLSCF(akv);
^
/Users/evaleev/Development/workspace/mpqc/src/lib/chemistry/qc/scf/tascf.hpp:127:20: note:
unimplemented pure virtual method 'compute_ao_fock' in 'Mock_CLSCF'
virtual void compute_ao_fock(double) = 0;
^
/Users/evaleev/Development/workspace/mpqc/src/lib/chemistry/qc/scf/taclscf_test.cpp:78:40: error:
no member named 'overlap' in 'Mock_CLSCF'
std::cout << "Overlap \n" << tscf->overlap() << std::endl;