diff --git a/README.md b/README.md index f6833d93..e02184e5 100644 --- a/README.md +++ b/README.md @@ -11,6 +11,7 @@
+

--- diff --git a/environment.yml b/environment.yml new file mode 100644 index 00000000..506e52cc --- /dev/null +++ b/environment.yml @@ -0,0 +1,11 @@ +name: p4env37 +channels: + - psi4/label/dev + - defaults +dependencies: + - python=3.7 + - psi4 + - dftd3 + - matplotlib + - scipy + - pandas