diff --git a/pyqint/integrals.cpp b/pyqint/integrals.cpp index c0e517f..b1d9d7d 100644 --- a/pyqint/integrals.cpp +++ b/pyqint/integrals.cpp @@ -154,16 +154,16 @@ std::vector Integrator::evaluate_geometric_derivatives(const std::vector // Construct 2x2 matrices to hold values for the overlap, // kinetic and two nuclear integral values, respectively. const size_t datasz = charges.size() * 3 * sz * sz; - std::vector S(datasz, 0.0); - std::vector T(datasz, 0.0); - std::vector V(datasz, 0.0); + std::vector S(datasz, 0.0); + std::vector T(datasz, 0.0); + std::vector V(datasz, 0.0); // calculate the integral values using the integrator class for(unsigned int n=0; n Vn(charges.size() * sz * sz, 0.0); #pragma omp parallel for schedule(dynamic) for(int i=0; i<(int)sz; i++) { // have to use signed int for MSVC OpenMP here diff --git a/pyqint/integrals.h b/pyqint/integrals.h index af5f671..a88e562 100644 --- a/pyqint/integrals.h +++ b/pyqint/integrals.h @@ -30,8 +30,6 @@ #include "cgf.h" #include "factorials.h" -typedef std::vector> MATDOUBLE; - class Integrator { private: std::string compile_date;