diff --git a/ocaml/qp_create_ezfio_from_xyz.ml b/ocaml/qp_create_ezfio_from_xyz.ml index a6820d88..710523e4 100644 --- a/ocaml/qp_create_ezfio_from_xyz.ml +++ b/ocaml/qp_create_ezfio_from_xyz.ml @@ -85,7 +85,7 @@ let list_basis () = ) in List.sort basis_list ~cmp:String.ascending - |> String.concat ~sep:"\t" + |> String.concat ~sep:"\n" (** Run the program *) diff --git a/plugins/qmcpack/qp_convert_qmcpack_from_ezfio.py b/plugins/qmcpack/qp_convert_qmcpack_from_ezfio.py index 76386e36..6555b3ab 100755 --- a/plugins/qmcpack/qp_convert_qmcpack_from_ezfio.py +++ b/plugins/qmcpack/qp_convert_qmcpack_from_ezfio.py @@ -90,7 +90,7 @@ basis_raw, sym_raw, _= out.split("\n\n\n") # |_) (_| _> | _> __) (/_ |_ # -basis_without_header = "\n".join(basis_raw.split("\n")[7:]) +basis_without_header = "\n".join(basis_raw.split("\n")[11:]) import re l_basis_raw = re.split('\n\s*\n', basis_without_header)