Closed swillow closed 5 years ago
after line 1850.
before line 1071 Eigen::Map buf_mat(buf[idx], n1, n2); in the subroutine compute_1body_ints_deriv.
I did not see the following line. line 1883 if (buf[0] == nullptr)
line 1850: auto shset = buf[idx]; To avoid a segmentation fault when shset becomes 'nullptr', it might be better to add the following line
if (shset == nullptr) continue;
after line 1850.
With the same reason, it might be better to add the following lines:
const auto* buf_idx = buf[idx]; if (buf_idx == nullptr) continue;
before line 1071 Eigen::Map buf_mat(buf[idx], n1, n2);
in the subroutine compute_1body_ints_deriv.