qp_edit¶
This command reads the content of the EZFIO directory and creates a temporary file containing the data. The data is presented as a ReStructured Text (rst) document, where each section corresponds to the corresponding Quantum Package module. The content of the file can be modified to change the input parameters. When the text editor is closed, the updated data is saved into the EZFIO directory.
Note
The text editor which will be opened is defined by the EDITOR
environment variable. If this variable is not set, the vi
text editor will be used by default.
Warning
When the wave function is too large (more than 10 000 determinants), the determinants are not displayed.
Note
On some machines the terminal will be stuck in inverted colors after using
qp_edit. To Avoid this problem, put in your $HOME/.vimrc:
set t_ti=
set t_te=
Usage¶
qp_edit [-c] [-h] [-n <int>] [-s <range>] [--] EZFIO_DIR
-
-c,--check¶ Checks the input data
-
-h,--help¶ Print the help text and exits
-
-n,--ndet=<int>¶ Truncates the wavefunction to the target number of determinants
-
-s,--state=<range>¶ Select the states to extract from the EZFIO directory, using the same conventions as qp_set_mo_class. See example below.