Commit b7cee85c authored by Pardini, Lorenzo (lopa)'s avatar Pardini, Lorenzo (lopa)
Browse files

corrections for older versions

parent 6e23c6d0
Pipeline #13755 passed with stage
in 8 minutes and 16 seconds
......@@ -182,7 +182,7 @@ mainFileDescription = \
sections = ["section_run", "section_method"],
subMatchers = [
SM(name = 'input',
startReStr = r"\|\sGround-state run starting from atomic densities\s\|\s",
startReStr = r"\|\sGround-state\s*[-a-zA-Z\s]+\s*\|\s",
endReStr = r"\|\sDensity and potential initialised from atomic data\s",
sections = ['section_system'],
subMatchers = [
......@@ -246,7 +246,7 @@ mainFileDescription = \
repeats = True,
subMatchers = [
SM(name = "scfi totE",
startReStr =r"\|\s*Loop number\s*:",
startReStr =r"\|\s*[-a-zA-Z]+ number\s*:",
sections = ["section_scf_iteration"],
repeats = True,
subMatchers = [
......@@ -263,8 +263,8 @@ mainFileDescription = \
SM(r"\s*xc potential\s*:\s*(?P<energy_XC_potential_scf_iteration__hartree>[-0-9.]+)"),
SM(r"\s*exchange\s*:\s*(?P<x_elk_exchange_energy_scf_iteration__hartree>[-0-9.]+)"),
SM(r"\s*correlation\s*:\s*(?P<x_elk_correlation_energy_scf_iteration__hartree>[-0-9.]+)"),
SM(r"\s*electron entropic\s*:\s*(?P<x_elk_electron_entropic_energy_scf_iteration__hartree>[-0-9.]+)"),
SM(r"\s*total energy\s*:\s*(?P<energy_total_scf_iteration__hartree>[-0-9.]+)"),
SM(r"\s*electron entropic\s*:\s*(?P<x_elk_electron_entropic_energy_scf_iteration__hartree>[-0-9.]+([E]?[-]?[0-9]+))"),
SM(r"\s*total energy\s*:\s*(?P<energy_total_scf_iteration__hartree>[-0-9.]+([E]?[-]?[0-9]+))"),
SM(r"\s*Density of states at Fermi energy\s*:\s*(?P<x_elk_dos_fermi_scf_iteration__hartree_1>[-0-9.]+)"),
SM(r"\s*Estimated indirect band gap\s*:\s*(?P<x_elk_indirect_gap_scf_iteration__hartree>[-0-9.]+)"),
SM(r"\s*Estimated direct band gap\s*:\s*(?P<x_elk_direct_gap_scf_iteration__hartree>[-0-9.]+)"),
......
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