From d46bf76d5dd79a535517a07bea23eb703a4fe91d Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Fri, 27 Mar 2015 00:01:12 +0100 Subject: [PATCH] Update tutorial --- Tutorial.rest | 12 +++--------- 1 file changed, 3 insertions(+), 9 deletions(-) diff --git a/Tutorial.rest b/Tutorial.rest index 23ea8c6..deff36d 100644 --- a/Tutorial.rest +++ b/Tutorial.rest @@ -7,15 +7,9 @@ For example:: Ensure all required binaries are compiled ----------------------------------------- -This command will compile all the modules:: +This command will compile everything:: - cd $QPACKAGE_ROOT/src - make - -Then, all the ocaml binaries are compiled:: - - cd $QPACKAGE_ROOT/ocaml - make + make build Create the EZFIO input file @@ -40,7 +34,7 @@ Now, this `xyz` file is used to generate an `EZFIO` input directory using the `` To generate ``hcn.ezfio`` in the cc-pVDZ basis set, we use:: - qp_create_ezfio_from_xyz -b cc-pvdz hcn.xyz + qp_create_ezfio_from_xyz -b "cc-pvdz" hcn.xyz Run the SCF and Full-CI calculations