From 521450f5a6f776abf09ca6819395cc7ed02e161f Mon Sep 17 00:00:00 2001 From: Daniel Kats Date: Tue, 23 Jan 2024 10:57:32 +0100 Subject: [PATCH] Fix readme --- README.md | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/README.md b/README.md index d439688..537bdc2 100644 --- a/README.md +++ b/README.md @@ -37,10 +37,10 @@ Requirements: julia (>1.8) Packages: LinearAlgebra, NPZ, Mmap, TensorOperations, Printf, IterativeSolvers, GaussianBasis, DocStringExtensions, MKL(optional) ## Usage -For a development version of `ElemCo.jl`, clone the repository and create a symbolic link in the working directory to the `ElemCo.jl-devel` directory: +For a development version of `ElemCo.jl`, clone the repository and create a symbolic link in the working directory to the `ElemCo.jl` directory: ``` cd -ln -s . +ln -s . ``` Default scratch directory path on Windows is the first environment variable found in the ordered list `TMP`, `TEMP`, `USERPROFILE`. @@ -53,7 +53,7 @@ Variable names `fcidump`, `geometry` and `basis` are reserved for the file name #### DCSD calculation using integrals from a FCIDUMP file The ground state energy can be calculated using the DCSD method with the following script: ```julia -include("ElemCo.jl-devel/src/ElemCo.jl") +include("ElemCo.jl/src/ElemCo.jl") using .ElemCo fcidump = "../test/H2O.FCIDUMP" @@ -62,7 +62,7 @@ fcidump = "../test/H2O.FCIDUMP" #### DCSD calculation of the water molecule using density-fitted integrals In order to calculate the ground state energy of the water molecule using the DCSD method, the following script can be used: ```julia -include("ElemCo.jl-devel/src/ElemCo.jl") +include("ElemCo.jl/src/ElemCo.jl") using .ElemCo geometry="bohr O 0.000000000 0.000000000 -0.130186067