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(git:b77b4be)
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checks the input and perform some automatic "magic" on it More...
Functions/Subroutines | |
subroutine, public | check_cp2k_input (input_declaration, input_file, para_env, output_unit) |
performs further checks on an input that parsed successfully | |
subroutine, public | xc_functionals_expand (functionals, xc_section) |
expand a shortcutted functional section | |
subroutine, public | remove_restart_info (input_file) |
Removes section used to restart a calculation from an input file in memory. | |
checks the input and perform some automatic "magic" on it
subroutine, public input_cp2k_check::check_cp2k_input | ( | type(section_type), pointer | input_declaration, |
type(section_vals_type), pointer | input_file, | ||
type(mp_para_env_type), pointer | para_env, | ||
integer, intent(in), optional | output_unit | ||
) |
performs further checks on an input that parsed successfully
input_declaration | ... |
input_file | the parsed input |
para_env | ... |
output_unit | ... |
Definition at line 64 of file input_cp2k_check.F.
subroutine, public input_cp2k_check::xc_functionals_expand | ( | type(section_vals_type), pointer | functionals, |
type(section_vals_type), pointer | xc_section | ||
) |
expand a shortcutted functional section
functionals | the functional section to expand |
xc_section | ... |
Definition at line 136 of file input_cp2k_check.F.
subroutine, public input_cp2k_check::remove_restart_info | ( | type(section_vals_type), pointer | input_file | ) |
Removes section used to restart a calculation from an input file in memory.
input_file | the input file to initialize |
Definition at line 1001 of file input_cp2k_check.F.