1# -*- coding: utf-8 mode: shell-script -*-
2
3Test       : Dressed RDMFT
4Program    : octopus
5TestGroups : short-run, functionals
6Enabled    : Yes
7
8Processors : 1
9Input: 16-dressed-rdmft.01-ip.inp
10match ; SCF convergence               ; GREPCOUNT(static/info, 'SCF converged') ; 1
11match ; IP energy                     ; GREPFIELD(static/info, 'Total       =', 3) ; -1.58545076
12match ; IP eigenvalue                 ; GREPFIELD(static/info, '  1   --', 3) ; -0.792725
13
14Processors : 2
15Input: 16-dressed-rdmft.02-hf.inp
16Precision: 0.001
17match ; SCF convergence               ; GREPCOUNT(static/info, 'SCF converged') ; 1
18Precision: 1e-8
19match ; dHF converged energy          ; GREPFIELD(static/info, 'Total Energy ', 4) ; -0.780547043815
20match ; dHF highest occupation number ; GREPFIELD(static/info, 'Natural occupation numbers', 2, 2) ; 2.0
21Precision: 1e-6
22match ; dHF total mode occupation     ; GREPFIELD(static/info, 'Total mode occupation', 4) ;0.066690295387
23
24
25Input: 16-dressed-rdmft.03-rdmft.inp
26Precision: 0.001
27match ; SCF convergence                  ; GREPCOUNT(static/info, 'SCF converged') ; 1.0
28Precision: 8.7e-04
29match ; dRDMFT converged energy          ; GREPFIELD(static/info, 'Total Energy ', 4) ; -0.888946553975
30Precision: 0.0022
31match ; dRDMFT total mode occupation     ; GREPFIELD(static/info, 'Total mode occupation', 4) ; 0.083221597038
32Precision: 0.014
33match ; dRDMFT highest occupation number ; GREPFIELD(static/info, 'Natural occupation numbers', 2, 2) ; 1.9229920342595
34