Searched refs:densityMatrixFull_spin (Results 1 – 4 of 4) sorted by relevance
978 ergo_real* densityMatrixFull_spin = new ergo_real[n*n]; in output_density_images() local1000 densityMatrixFull_spin[i] = densityMatrixFull_a[i] - densityMatrixFull_b[i]; in output_density_images()1007 densityMatrixFull_spin, in output_density_images()1022 ergo_real* densityMatrixFull_spin = new ergo_real[n*n]; in do_spin_flip() local1045 densityMatrixFull_spin[i] = densityMatrixFull_a[i] - densityMatrixFull_b[i]; in do_spin_flip()1074 densityMatrixFull_spin[i*n+j] *= -1; in do_spin_flip()1081 densityMatrixFull_a[i] = 0.5 * (densityMatrixFull_tot[i] + densityMatrixFull_spin[i]); in do_spin_flip()1082 densityMatrixFull_b[i] = 0.5 * (densityMatrixFull_tot[i] - densityMatrixFull_spin[i]); in do_spin_flip()1100 delete [] densityMatrixFull_spin; in do_spin_flip()
1034 ergo_real *densityMatrixFull_spin = new ergo_real[n * n]; in output_density_images() local1049 densityMatrixFull_spin[i] = 0; in output_density_images()1056 densityMatrixFull_spin, in output_density_images()1071 ergo_real *densityMatrixFull_spin = new ergo_real[n * n]; in output_density_images_orbital() local1104 densityMatrixFull_spin[i] = 0; in output_density_images_orbital()1111 densityMatrixFull_spin, in output_density_images_orbital()
252 const ergo_real* densityMatrixFull_spin,
2413 const ergo_real* densityMatrixFull_spin, in do_density_images() argument2428 nPrims2 = get_no_of_primitives_for_density(cutoff, densityMatrixFull_spin, basisInfo); in do_density_images()2439 densityMatrixFull_spin, in do_density_images()