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Update tutorial

Anthony Scemama 2015-03-27 00:01:12 +01:00
parent 3b079cc103
commit d46bf76d5d
1 changed files with 3 additions and 9 deletions
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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