diff --git a/src/particle_methods.F b/src/particle_methods.F index 82c9b71f25..e7336c66ad 100644 --- a/src/particle_methods.F +++ b/src/particle_methods.F @@ -1306,6 +1306,20 @@ CONTAINS "submitted by "//TRIM(r_user_name)//"@"//TRIM(r_host_name), & "processed in "//TRIM(r_cwd), & "generated at "//TRIM(timestamp) + WRITE (UNIT=file_unit, FMT="(T2,A)") & + REPEAT(" -*WARNING*- ", 6) + WRITE (UNIT=file_unit, FMT="(T2,A)") & + "WARNING| the lines enclosed in between -*WARNING*- contain metadata" + WRITE (UNIT=file_unit, FMT="(T2,A)") & + "WARNING| provided in a tentative format for the newly implemented" + WRITE (UNIT=file_unit, FMT="(T2,A)") & + "WARNING| CIF output from CP2K version 2026.2, which may be unstable" + WRITE (UNIT=file_unit, FMT="(T2,A)") & + "WARNING| and subject to overhaul in a future release. Contact the" + WRITE (UNIT=file_unit, FMT="(T2,A)") & + "WARNING| developers in case a stabilized format is needed for some" + WRITE (UNIT=file_unit, FMT="(T2,A)") & + "WARNING| downstream CIF parser with text pattern matchers (regexp)." WRITE (UNIT=file_unit, FMT="(T2,A)") & "- Optimization type: "//TRIM(gopt_env_label) IF (conv) THEN @@ -1364,6 +1378,8 @@ CONTAINS cp_unit_from_cp2k(hmat(2, i), "angstrom"), & cp_unit_from_cp2k(hmat(3, i), "angstrom") END DO + WRITE (UNIT=file_unit, FMT="(T2,A)") & + REPEAT("-*WARNING*- ", 6) WRITE (UNIT=file_unit, FMT="(A)") ";" ! Data of cell and geometry WRITE (UNIT=file_unit, FMT="(/,A,T44,A)") &