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Searched refs:contact_id_str (Results 1 – 4 of 4) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dnegf_control_types.F205 CHARACTER(len=default_string_length) :: contact_id_str, eta_current_str, eta_max_str, & local
236 WRITE (contact_id_str, '(I11)') i_rep
238 … "The screening region must be defined for the contact "//TRIM(ADJUSTL(contact_id_str))//".")
250 WRITE (contact_id_str, '(I11)') i_rep
252 … "The bulk region must be defined for the contact "//TRIM(ADJUSTL(contact_id_str))//".")
267 WRITE (contact_id_str, '(I11)') i_rep
272 TRIM(ADJUSTL(contact_id_str))//".")
295 WRITE (contact_id_str, '(I11)') i_rep
298 … TRIM(ADJUSTL(contact_id_str))//" without running a separate bulk DFT calculation first. "// &
H A Dnegf_methods.F154 CHARACTER(len=default_string_length) :: contact_id_str local
217 CALL integer_to_string(icontact, contact_id_str)
220 middle_name=TRIM(ADJUSTL(contact_id_str)), &
276 CALL integer_to_string(0, contact_id_str)
279 middle_name=TRIM(ADJUSTL(contact_id_str)), &
297 CALL integer_to_string(0, contact_id_str)
300 middle_name=TRIM(ADJUSTL(contact_id_str)), &
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dnegf_control_types.F205 CHARACTER(len=default_string_length) :: contact_id_str, eta_current_str, eta_max_str, & local
236 WRITE (contact_id_str, '(I11)') i_rep
238 … "The screening region must be defined for the contact "//TRIM(ADJUSTL(contact_id_str))//".")
250 WRITE (contact_id_str, '(I11)') i_rep
252 … "The bulk region must be defined for the contact "//TRIM(ADJUSTL(contact_id_str))//".")
267 WRITE (contact_id_str, '(I11)') i_rep
272 TRIM(ADJUSTL(contact_id_str))//".")
295 WRITE (contact_id_str, '(I11)') i_rep
298 … TRIM(ADJUSTL(contact_id_str))//" without running a separate bulk DFT calculation first. "// &
H A Dnegf_methods.F154 CHARACTER(len=default_string_length) :: contact_id_str local
217 CALL integer_to_string(icontact, contact_id_str)
220 middle_name=TRIM(ADJUSTL(contact_id_str)), &
276 CALL integer_to_string(0, contact_id_str)
279 middle_name=TRIM(ADJUSTL(contact_id_str)), &
297 CALL integer_to_string(0, contact_id_str)
300 middle_name=TRIM(ADJUSTL(contact_id_str)), &