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Check for LIBXC parameter names of zero-string length

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This commit is contained in:
Matthias Krack 2022-12-13 15:56:46 +01:00
parent 0a22203fba
commit f2b21f0ca0
1 changed files with 9 additions and 1 deletions
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10
src/xc/xc_libxc.F
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@ -38,6 +38,7 @@ MODULE xc_libxc
section_vals_val_get
USE kinds, ONLY: default_string_length, &
dp
USE string_utilities, ONLY: uppercase
USE xc_derivative_set_types, ONLY: xc_derivative_set_type, &
xc_dset_get_derivative
USE xc_derivative_types, ONLY: xc_derivative_get, &
@ -244,6 +245,11 @@ CONTAINS
description = xc_f03_func_info_get_name(xc_info)
n_param = xc_f03_func_info_get_n_ext_params(xc_info)
IF (LEN_TRIM(func_name) == 0) THEN
CPWARN("Zero-length string found for LIBXC functional name")
END IF
CALL uppercase(func_name)
NULLIFY (subsection)
CALL section_create(subsection, __LOCATION__, name=TRIM(func_name), description=TRIM(description), &
n_keywords=2 + n_param, n_subsections=0, repeats=.FALSE.)
@ -271,7 +277,9 @@ CONTAINS
param_name = xc_f03_func_info_get_ext_params_name(xc_info, iparam - 1)
param_descr = xc_f03_func_info_get_ext_params_description(xc_info, iparam - 1)
default_val = xc_f03_func_info_get_ext_params_default_value(xc_info, iparam - 1)
IF (LEN_TRIM(param_name) == 0) THEN
CPWARN("Zero-length string found for parameter name of LIBXC functional "//TRIM(func_name))
END IF
NULLIFY (keyword)
CALL keyword_create(keyword, __LOCATION__, name=TRIM(param_name), &
description=TRIM(param_descr), default_r_val=default_val)