diff --git a/lib/.gitignore b/lib/.gitignore new file mode 100644 index 0000000..17eec9d --- /dev/null +++ b/lib/.gitignore @@ -0,0 +1,2 @@ +libqmckl.so +libqmckl.a diff --git a/src/qmckl_context.org b/src/qmckl_context.org index c6ae818..142cba5 100644 --- a/src/qmckl_context.org +++ b/src/qmckl_context.org @@ -97,8 +97,8 @@ typedef struct qmckl_context_struct { qmckl_ao_basis_struct ao_basis; /* To be implemented: - qmckl_nucleus_struct nucleus; qmckl_electron_struct electron; + qmckl_nucleus_struct nucleus; qmckl_mo_struct mo; qmckl_determinant_struct det; ,*/