Release 1.5.0 #160
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Release 1.5.0 #160
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* Set EPS_GEO to 1.0E-8 * Switch the FULL_GRID OFF * Switch the SYMMETRY OFF
…ng (#156) - Add `_read_stdout` and `_check_stdout_for_errors` methods of the base parser that are generic and can be reused in all the derived parser. This makes the code shorter. - Add `add_ext_restart_section` and `add_wfn_restart_section` capable of adding only the corresponding sections. - Add a bunch of exit codes to the `Cp2kBaseWorkChain`. - Introduce a new `restart_incomplete_calculation` handler as a replacement for the `resubmit_unconverged_geometry` one. Added a deprecation warning in the docstring of the latter one. Note: every time `restart_incomplete_calculation` detects the ability to restart a work chain, it launches `add_wfn_restart_section` and (sometimes) `add_ext_restart_section`. This happens always even if the corresponding sections are already present in the input dictionary. - Adapt examples to the changes in the code.
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