Skip to content
Snippets Groups Projects

Fix oep polarized

Merged Nicolas Tancogne-Dejean requested to merge fix_oep_polarized into hotfix-10.5
1 file
+ 0
2
Compare changes
  • Side-by-side
  • Inline
@@ -13,7 +13,6 @@ Precision : 7.0e-6
# First start a ground state calculation that uses the mixing of the density
Input: 34-walltime.01-gs_walltime.inp
match ; SCF convergence ; GREPCOUNT(workdir/static/info, 'SCF \*not\* converged') ; 1
match ; Walltimer ; GREPCOUNT(out, 'Walltimer stopping execution') ; 1
match ; Writing States ; GREPCOUNT(out, 'Finished writing states') ; 1
# Now restart the previous calculation reading the states, the density, and the mixing
@@ -24,7 +23,6 @@ match ; Initial energy ; GREPFIELD(workdir/static/info, 'Total =', 3) ; -3
# Now start a TD propagation
Input: 34-walltime.03-td_walltime.inp
match ; Walltimer ; GREPCOUNT(out, 'Walltimer stopping execution') ; 1
match ; Writing States ; GREPCOUNT(out, 'Finished writing states') ; 1
# Finally restart the time propagation after being stopped
Loading