convertpfaff

Description

This command manages conversion of a wavefunction to JAGP (JPf) ansatz. It internally calls convertpfaff.x.

Synopsis

turbogenius convertpfaff [ACTION] [OPTIONS]

ACTION is one or any combination of -g (generate an input file), -r (run a program), or -post (perform postprocess). It is mandatory.

turbogenius convertpfaff --help

This command shows the list of available options.

Options

general option

This option affects all actions.

option	default value	description
-log TEXT	INFO	Specify log level. The argument is DEBUG, INFO, or ERROR.

run (-r) options

These options affect the execution of wavefunction conversion.

option	default value	description
-rotate	false	flag for rotation
-angle FLOAT	0.0	Specify rotate_angle
-scale INTEGER	1000	Specify scale_mean_field

Environment variables

TURBOCONVERTPFAFF_RUN_COMMAND

This specifies the execution command used in the conversion. The explicit command path can be specified by this variable.

Input and output files

action	input	output	rename
-g	fort.10_in fort.10_out pseudo.dat	convertpfaff_genius_cli.pkl
-r	fort.10_in fort.10_out pseudo.dat convertpfaff_genius_cli.pkl	fort.10_new out_pfaff
-post	out_pfaff convertpfaff_genius_cli.pkl

Note

The corresponding TurboRVB commands are as follows:

• rotate_flag is off, and closed-shell case:

  convertpfaff.x norotate
  

• rotate_flag is off, and unpaired case:

  echo scale_mean_field | convertpfaff.x norotate
  

• rotate_flag is on:

  echo rotate_angle | convertpfaff.x rotate