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Input: Remove required flag (Vedran Miletic)
svn-origin-rev: 15552
1 parent 96d1b4f commit 1511745

52 files changed

Lines changed: 936 additions & 1172 deletions

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‎src/environment.F‎

Lines changed: 3 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -740,12 +740,12 @@ SUBROUTINE read_global_section(root_section,para_env,globenv,error)
740740
qmmm_section => section_vals_get_subs_vals3(force_env_sections,"QMMM",&
741741
i_rep_section=i_force_eval(iforce_eval),error=error)
742742
CALL section_vals_val_get(dft_section,"BASIS_SET_FILE_NAME",&
743-
c_val=basis_set_file_name , ignore_required=.TRUE., error=error)
743+
c_val=basis_set_file_name, error=error)
744744
CALL section_vals_val_get(dft_section,"POTENTIAL_FILE_NAME",&
745-
c_val=potential_file_name , ignore_required=.TRUE., error=error)
745+
c_val=potential_file_name, error=error)
746746

747747
CALL section_vals_val_get(qmmm_section,"MM_POTENTIAL_FILE_NAME",&
748-
c_val=mm_potential_file_name, ignore_required=.TRUE., error=error)
748+
c_val=mm_potential_file_name, error=error)
749749
! SUBSYS - If any
750750
subsys_section => section_vals_get_subs_vals3(force_env_sections,"SUBSYS",&
751751
i_rep_section=i_force_eval(iforce_eval),error=error)

‎src/f77_interface.F‎

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -796,7 +796,7 @@ RECURSIVE SUBROUTINE create_force_env(new_env_id,input_declaration,input_path,&
796796
! Setup all possible force_env
797797
force_env_sections => section_vals_get_subs_vals(root_section,"FORCE_EVAL",error=error)
798798
CALL section_vals_val_get(root_section,"MULTIPLE_FORCE_EVALS%MULTIPLE_SUBSYS",&
799-
l_val=multiple_subsys,ignore_required=.TRUE.,error=error)
799+
l_val=multiple_subsys,error=error)
800800
CALL multiple_fe_list(force_env_sections, root_section, i_force_eval, nforce_eval,&
801801
error)
802802
! Enforce the deletion of the subsys (unless not explicitly required)

‎src/force_env_types.F‎

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -755,7 +755,7 @@ SUBROUTINE multiple_fe_list(force_env_sections, root_section, i_force_eval, nfor
755755
! Let's treat the case of Multiple force_eval
756756
CALL section_vals_get(force_env_sections, n_repetition=nforce_eval, error=error)
757757
CALL section_vals_val_get(root_section,"MULTIPLE_FORCE_EVALS%FORCE_EVAL_ORDER",&
758-
i_vals=my_i_force_eval,ignore_required=.TRUE.,error=error)
758+
i_vals=my_i_force_eval,error=error)
759759
ALLOCATE(i_force_eval(nforce_eval),stat=stat)
760760
CPPostcondition(stat==0,cp_fatal_level,routineP,error,failure)
761761
IF (nforce_eval>0) THEN

‎src/force_fields_input.F‎

Lines changed: 2 additions & 4 deletions
Original file line numberDiff line numberDiff line change
@@ -1524,14 +1524,12 @@ SUBROUTINE read_apol_section(apol_atm, apol, damping_list, section,&
15241524
damping_list(start_damp+isec_damp)%atm_name2=atm_name
15251525
CALL uppercase(damping_list(start_damp+isec_damp)%atm_name2)
15261526
CALL section_vals_val_get(tmp_section,"TYPE",i_rep_section=isec_damp,&
1527-
c_val=atm_name,ignore_required=.TRUE.,&
1528-
error=error)
1527+
c_val=atm_name,error=error)
15291528
damping_list(start_damp+isec_damp)%dtype=atm_name
15301529
CALL uppercase(damping_list(start_damp+isec_damp)%dtype)
15311530
15321531
CALL section_vals_val_get(tmp_section,"ORDER",i_rep_section=isec_damp,&
1533-
i_val=damping_list(start_damp+isec_damp)%order,&
1534-
ignore_required=.TRUE., error=error)
1532+
i_val=damping_list(start_damp+isec_damp)%order, error=error)
15351533
CALL section_vals_val_get(tmp_section,"BIJ",i_rep_section=isec_damp,&
15361534
r_val=damping_list(start_damp+isec_damp)%bij, error=error)
15371535
CALL section_vals_val_get(tmp_section,"CIJ",i_rep_section=isec_damp,&

‎src/input/cp_output_handling.F‎

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -191,7 +191,7 @@ SUBROUTINE cp_print_key_section_create(print_key_section, name, description, &
191191
IF (PRESENT(print_level)) my_print_level=print_level
192192

193193
CALL section_create(print_key_section,name=name,description=description,&
194-
n_keywords=2, n_subsections=0, repeats=.FALSE., required=.FALSE.,&
194+
n_keywords=2, n_subsections=0, repeats=.FALSE.,&
195195
citations=citations, error=error)
196196

197197
NULLIFY(keyword, subsection)
@@ -221,7 +221,7 @@ SUBROUTINE cp_print_key_section_create(print_key_section, name, description, &
221221
"separately in ADD_LAST (this mean that each iteration level (MD, GEO_OPT, etc..), "//&
222222
"though equal to 0, might print the last iteration). If an iteration level is specified "//&
223223
"that is not present in the flow of the calculation it is just ignored.",&
224-
n_keywords=2, n_subsections=0, repeats=.FALSE., required=.FALSE.,&
224+
n_keywords=2, n_subsections=0, repeats=.FALSE.,&
225225
citations=citations, error=error)
226226

227227
! Enforce the presence or absence of both.. or give an error

‎src/input/input_keyword_types.F‎

Lines changed: 10 additions & 36 deletions
Original file line numberDiff line numberDiff line change
@@ -71,8 +71,6 @@ MODULE input_keyword_types
7171
!> \param n_var number of values that should be parsed (-1=unknown)
7272
!> \param repeats if the keyword can be present more than once in the
7373
!> section
74-
!> \param required if the keyword is required (leaving it out will give an
75-
!> error)
7674
!> \param enum enumeration that defines the mapping between integers and
7775
!> strings
7876
!> \param unit the default unit this keyword is read in (to automatically
@@ -93,7 +91,7 @@ MODULE input_keyword_types
9391
CHARACTER,DIMENSION(:),POINTER :: description => Null()
9492
INTEGER, POINTER, DIMENSION(:) :: citations
9593
INTEGER :: type_of_var,n_var
96-
LOGICAL :: repeats, required
94+
LOGICAL :: repeats
9795
TYPE(enumeration_type), POINTER :: enum
9896
TYPE(cp_unit_type), POINTER :: unit
9997
TYPE(val_type), POINTER :: default_value
@@ -112,7 +110,6 @@ MODULE input_keyword_types
112110
!> \param n_var ...
113111
!> \param repeats ...
114112
!> \param variants ...
115-
!> \param required ...
116113
!> \param default_val ...
117114
!> \param default_l_val ...
118115
!> \param default_r_val ...
@@ -144,7 +141,7 @@ MODULE input_keyword_types
144141
!> \author fawzi
145142
! *****************************************************************************
146143
SUBROUTINE keyword_create(keyword, name, description, usage, type_of_var,&
147-
n_var,repeats,variants,required,default_val,&
144+
n_var,repeats,variants,default_val,&
148145
default_l_val, default_r_val, default_lc_val, default_c_val, default_i_val,&
149146
default_l_vals, default_r_vals, default_c_vals, default_i_vals,&
150147
lone_keyword_val, lone_keyword_l_val, lone_keyword_r_val, lone_keyword_c_val,&
@@ -158,7 +155,6 @@ SUBROUTINE keyword_create(keyword, name, description, usage, type_of_var,&
158155
LOGICAL, INTENT(in), OPTIONAL :: repeats
159156
CHARACTER(len=*), DIMENSION(:), &
160157
INTENT(in), OPTIONAL :: variants
161-
LOGICAL, INTENT(in), OPTIONAL :: required
162158
TYPE(val_type), OPTIONAL, POINTER :: default_val
163159
LOGICAL, INTENT(in), OPTIONAL :: default_l_val
164160
REAL(KIND=DP), INTENT(in), OPTIONAL :: default_r_val
@@ -257,8 +253,6 @@ SUBROUTINE keyword_create(keyword, name, description, usage, type_of_var,&
257253

258254
keyword%repeats=.FALSE.
259255
IF (PRESENT(repeats)) keyword%repeats=repeats
260-
keyword%required=.FALSE.
261-
IF (PRESENT(required)) keyword%required=required
262256

263257
NULLIFY(keyword%enum)
264258
IF (PRESENT(enum)) THEN
@@ -504,7 +498,6 @@ END SUBROUTINE keyword_release
504498
!> \param n_var ...
505499
!> \param default_value ...
506500
!> \param lone_keyword_value ...
507-
!> \param required ...
508501
!> \param repeats ...
509502
!> \param enum ...
510503
!> \param citations ...
@@ -513,15 +506,15 @@ END SUBROUTINE keyword_release
513506
!> \author fawzi
514507
! *****************************************************************************
515508
SUBROUTINE keyword_get(keyword,names,usage,description,type_of_var,n_var,&
516-
default_value, lone_keyword_value,required,repeats,enum,citations,error)
509+
default_value, lone_keyword_value,repeats,enum,citations,error)
517510
TYPE(keyword_type), POINTER :: keyword
518511
CHARACTER(len=default_string_length), &
519512
DIMENSION(:), OPTIONAL, POINTER :: names
520513
CHARACTER(len=*), INTENT(out), OPTIONAL :: usage, description
521514
INTEGER, INTENT(out), OPTIONAL :: type_of_var, n_var
522515
TYPE(val_type), OPTIONAL, POINTER :: default_value, &
523516
lone_keyword_value
524-
LOGICAL, INTENT(out), OPTIONAL :: required, repeats
517+
LOGICAL, INTENT(out), OPTIONAL :: repeats
525518
TYPE(enumeration_type), OPTIONAL, &
526519
POINTER :: enum
527520
INTEGER, DIMENSION(:), OPTIONAL, POINTER :: citations
@@ -543,7 +536,6 @@ SUBROUTINE keyword_get(keyword,names,usage,description,type_of_var,n_var,&
543536
IF (PRESENT(type_of_var)) type_of_var=keyword%type_of_var
544537
IF (PRESENT(n_var)) n_var=keyword%n_var
545538
IF (PRESENT(repeats)) repeats=keyword%repeats
546-
IF (PRESENT(required)) required=keyword%required
547539
IF (PRESENT(default_value)) default_value => keyword%default_value
548540
IF (PRESENT(lone_keyword_value)) lone_keyword_value => keyword%lone_keyword_value
549541
IF (PRESENT(enum)) enum => keyword%enum
@@ -556,7 +548,7 @@ END SUBROUTINE keyword_get
556548
!> \param keyword the keyword to describe
557549
!> \param unit_nr the unit to write to
558550
!> \param level the description level (0 no description, 1 name
559-
!> 2: +usage, 3: +variants+description+default_value+required+repeats
551+
!> 2: +usage, 3: +variants+description+default_value+repeats
560552
!> 4: +type_of_var)
561553
!> \param error variable to control error logging, stopping,...
562554
!> see module cp_error_handling
@@ -682,11 +674,6 @@ SUBROUTINE keyword_describe(keyword, unit_nr, level,error)
682674
WRITE(unit_nr,"('lone_keyword : ')",advance="NO")
683675
CALL val_write(keyword%lone_keyword_value,unit_nr=unit_nr,error=error)
684676
END IF
685-
IF (keyword%required) THEN
686-
WRITE(unit_nr,"(' This keyword is required')",advance="NO")
687-
ELSE
688-
WRITE(unit_nr,"(' This keyword is optional')",advance="NO")
689-
END IF
690677
IF (keyword%repeats) THEN
691678
WRITE(unit_nr,"(' and it can be repeated more than once')",advance="NO")
692679
END IF
@@ -732,11 +719,7 @@ SUBROUTINE keyword_describe_html(keyword, unit_nr, error)
732719
'<TD WIDTH="80%">'
733720
WRITE(unit_nr,'(a)') '<TR><TD WIDTH="20%"><TD WIDTH="80%">'//TRIM(keyword%usage)
734721
WRITE(unit_nr,'(a)') '<TR><TD WIDTH="20%"><TD WIDTH="80%"><i>'//TRIM(a2s(keyword%description))//'</i>'
735-
IF (keyword%required) THEN
736-
WRITE(unit_nr,"(a)",advance="NO") '<TR><TD WIDTH="10%"><TD> This required keyword '
737-
ELSE
738-
WRITE(unit_nr,"(a)",advance="NO") '<TR><TD WIDTH="10%"><TD> This optional keyword '
739-
END IF
722+
WRITE(unit_nr,"(a)",advance="NO") '<TR><TD WIDTH="10%"><TD> This keyword '
740723
SELECT CASE(keyword%type_of_var)
741724
CASE (logical_t)
742725
IF (keyword%n_var==-1) THEN
@@ -883,7 +866,7 @@ SUBROUTINE write_keyword_xml(keyword,level,unit_number,error)
883866
routineP = moduleN//':'//routineN
884867

885868
CHARACTER(LEN=1000) :: string
886-
CHARACTER(LEN=3) :: repeats, required
869+
CHARACTER(LEN=3) :: repeats
887870
CHARACTER(LEN=8) :: short_string
888871
INTEGER :: i, l0, l1, l2, l3, l4
889872
LOGICAL :: failure
@@ -902,12 +885,6 @@ SUBROUTINE write_keyword_xml(keyword,level,unit_number,error)
902885
l3 = level + 3
903886
l4 = level + 4
904887

905-
IF (keyword%required) THEN
906-
required = "yes"
907-
ELSE
908-
required = "no "
909-
END IF
910-
911888
IF (keyword%repeats) THEN
912889
repeats = "yes"
913890
ELSE
@@ -918,18 +895,15 @@ SUBROUTINE write_keyword_xml(keyword,level,unit_number,error)
918895

919896
IF (keyword%names(1) == "_SECTION_PARAMETERS_") THEN
920897
WRITE (UNIT=unit_number,FMT="(A)")&
921-
REPEAT(" ",l0)//"<SECTION_PARAMETERS required="""//TRIM(required)//&
922-
""" repeats="""//TRIM(repeats)//""">",&
898+
REPEAT(" ",l0)//"<SECTION_PARAMETERS repeats="""//TRIM(repeats)//""">",&
923899
REPEAT(" ",l1)//"<NAME type=""default"">SECTION_PARAMETERS</NAME>"
924900
ELSE IF (keyword%names(1) == "_DEFAULT_KEYWORD_") THEN
925901
WRITE (UNIT=unit_number,FMT="(A)")&
926-
REPEAT(" ",l0)//"<DEFAULT_KEYWORD required="""//TRIM(required)//&
927-
""" repeats="""//TRIM(repeats)//""">",&
902+
REPEAT(" ",l0)//"<DEFAULT_KEYWORD repeats="""//TRIM(repeats)//""">",&
928903
REPEAT(" ",l1)//"<NAME type=""default"">DEFAULT_KEYWORD</NAME>"
929904
ELSE
930905
WRITE (UNIT=unit_number,FMT="(A)")&
931-
REPEAT(" ",l0)//"<KEYWORD required="""//TRIM(required)//&
932-
""" repeats="""//TRIM(repeats)//""">",&
906+
REPEAT(" ",l0)//"<KEYWORD repeats="""//TRIM(repeats)//""">",&
933907
REPEAT(" ",l1)//"<NAME type=""default"">"//&
934908
TRIM(keyword%names(1))//"</NAME>"
935909
END IF

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