From 19d7176ce102ef8d3b21feea96e2c6158d20db3d Mon Sep 17 00:00:00 2001 From: Daniel Kats Date: Tue, 4 Apr 2023 09:36:25 +0200 Subject: [PATCH] Remove Molecules.jl dependency --- src/integrals.jl | 5 ++--- 1 file changed, 2 insertions(+), 3 deletions(-) diff --git a/src/integrals.jl b/src/integrals.jl index 92bc5d0..cce02e3 100644 --- a/src/integrals.jl +++ b/src/integrals.jl @@ -2,13 +2,12 @@ module ECInts export BasisSet, overlap, kinetic, nuclear, ERI_2e4c, ERI_2e3c, ERI_2e2c try using GaussianBasis - using Molecules #using Lints # package which uses libint catch - println("GaussianBasis/Molecules package not installed! Generation of integrals is not available.") + println("GaussianBasis package not installed! Generation of integrals is not available.") end # TODO use GaussianBasis.read_basisset("cc-pvtz",atoms[2]) to specify non-default basis -end #module \ No newline at end of file +end #module