diff --git a/examples/molecule.Be b/examples/molecule.Be index 67ee9ac..3473f29 100644 --- a/examples/molecule.Be +++ b/examples/molecule.Be @@ -1,4 +1,4 @@ -# nAt nEl nCore nRyd - 1 4 0 0 +# nAt nEl nEla nElb nCore nRyd + 1 4 2 2 0 0 # Znuc x y z Be 0.0 0.0 0.0 diff --git a/examples/molecule.He b/examples/molecule.He index 0a9db5b..e84372f 100644 --- a/examples/molecule.He +++ b/examples/molecule.He @@ -1,4 +1,4 @@ # nAt nEl nEla nElb nCore nRyd - 1 2 0 0 0 0 + 1 2 1 1 0 0 # Znuc x y z He 0.0 0.0 0.0 diff --git a/examples/molecule.Ne b/examples/molecule.Ne index a0a7bc2..29ad6e0 100644 --- a/examples/molecule.Ne +++ b/examples/molecule.Ne @@ -1,4 +1,4 @@ -# nAt nEl nCore nRyd - 1 10 0 0 +# nAt nEl nEla nElb nCore nRyd + 1 10 5 5 0 0 # Znuc x y z Ne 0.0 0.0 0.0