1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941 942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 965 966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990 991 992 993 994 995 996 997 998 999 1000 1001 1002 1003 1004 1005 1006 1007 1008 1009 1010 1011 1012 1013 1014 1015 1016 1017 1018 1019 1020 1021 1022 1023 1024 1025 1026 1027 1028 1029 1030 1031 1032 1033 1034 1035 1036 1037 1038 1039 1040 1041 1042 1043 1044 1045 1046 1047 1048 1049 1050 1051 1052 1053 1054 1055 1056 1057
|
!
! KIM-API: An API for interatomic models
! Copyright (c) 2013--2022, Regents of the University of Minnesota.
! All rights reserved.
!
! Contributors:
! Ryan S. Elliott
!
! SPDX-License-Identifier: LGPL-2.1-or-later
!
! This library is free software; you can redistribute it and/or
! modify it under the terms of the GNU Lesser General Public
! License as published by the Free Software Foundation; either
! version 2.1 of the License, or (at your option) any later version.
!
! This library is distributed in the hope that it will be useful,
! but WITHOUT ANY WARRANTY; without even the implied warranty of
! MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
! Lesser General Public License for more details.
!
! You should have received a copy of the GNU Lesser General Public License
! along with this library; if not, write to the Free Software Foundation,
! Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA
!
!
! Release: This file is part of the kim-api.git repository.
!
!> \brief \copybrief KIM::SimulatorModel
!!
!! \sa KIM::SimulatorModel, KIM_SimulatorModel
!!
!! \since 2.1
module kim_simulator_model_module
use, intrinsic :: iso_c_binding
implicit none
private
public &
! Derived types
kim_simulator_model_handle_type, &
! Constants
KIM_SIMULATOR_MODEL_NULL_HANDLE, &
! Routines
operator(.eq.), &
operator(.ne.), &
kim_simulator_model_create, &
kim_simulator_model_destroy, &
kim_get_simulator_name_and_version, &
kim_get_number_of_supported_species, &
kim_get_supported_species, &
kim_open_and_initialize_template_map, &
kim_template_map_is_open, &
kim_add_template_map, &
kim_close_template_map, &
kim_get_number_of_simulator_fields, &
kim_get_simulator_field_metadata, &
kim_get_simulator_field_line, &
kim_get_parameter_file_directory_name, &
kim_get_specification_file_name, &
kim_get_number_of_parameter_files, &
kim_get_parameter_file_name, &
kim_get_parameter_file_basename, &
kim_set_simulator_buffer_pointer, &
kim_get_simulator_buffer_pointer, &
kim_to_string, &
kim_set_log_id, &
kim_push_log_verbosity, &
kim_pop_log_verbosity
!> \brief \copybrief KIM::SimulatorModel
!!
!! \sa KIM::SimulatorModel, KIM_SimulatorModel
!!
!! \since 2.1
type, bind(c) :: kim_simulator_model_handle_type
type(c_ptr) :: p = c_null_ptr
end type kim_simulator_model_handle_type
!> \brief NULL handle for use in comparisons.
!!
!! \since 2.1
type(kim_simulator_model_handle_type), protected, save &
:: KIM_SIMULATOR_MODEL_NULL_HANDLE
!> \brief Compares kim_simulator_model_handle_type's for equality.
!!
!! \since 2.1
interface operator(.eq.)
module procedure kim_simulator_model_handle_equal
end interface operator(.eq.)
!> \brief Compares kim_simulator_model_handle_type's for inequality.
!!
!! \since 2.1
interface operator(.ne.)
module procedure kim_simulator_model_handle_not_equal
end interface operator(.ne.)
!> \brief \copybrief KIM::SimulatorModel::GetSimulatorNameAndVersion
!!
!! \sa KIM::SimulatorModel::GetSimulatorNameAndVersion,
!! KIM_SimulatorModel_GetSimulatorNameAndVersion
!!
!! \since 2.1
interface kim_get_simulator_name_and_version
module procedure kim_simulator_model_get_simulator_name_and_version
end interface kim_get_simulator_name_and_version
!> \brief \copybrief KIM::SimulatorModel::GetNumberOfSupportedSpecies
!!
!! \sa KIM::SimulatorModel::GetNumberOfSupportedSpecies,
!! KIM_SimulatorModel_GetNumberOfSupportedSpecies
!!
!! \since 2.1
interface kim_get_number_of_supported_species
module procedure kim_simulator_model_get_number_of_supported_species
end interface kim_get_number_of_supported_species
!> \brief \copybrief KIM::SimulatorModel::GetSupportedSpecies
!!
!! \sa KIM::SimulatorModel::GetSupportedSpecies,
!! KIM_SimulatorModel_GetSupportedSpecies
!!
!! \since 2.1
interface kim_get_supported_species
module procedure kim_simulator_model_get_supported_species
end interface kim_get_supported_species
!> \brief \copybrief KIM::SimulatorModel::OpenAndInitializeTemplateMap
!!
!! \sa KIM::SimulatorModel::OpenAndInitializeTemplateMap,
!! KIM_SimulatorModel_OpenAndInitializeTemplateMap
!!
!! \since 2.1
interface kim_open_and_initialize_template_map
module procedure kim_simulator_model_open_and_initialize_template_map
end interface kim_open_and_initialize_template_map
!> \brief \copybrief KIM::SimulatorModel::TemplateMapIsOpen
!!
!! \sa KIM::SimulatorModel::TemplateMapIsOpen,
!! KIM_SimulatorModel_TemplateMapIsOpen
!!
!! \since 2.1
interface kim_template_map_is_open
module procedure kim_simulator_model_template_map_is_open
end interface kim_template_map_is_open
!> \brief \copybrief KIM::SimulatorModel::AddTemplateMap
!!
!! \sa KIM::SimulatorModel::AddTemplateMap, KIM_SimulatorModel_AddTemplateMap
!!
!! \since 2.1
interface kim_add_template_map
module procedure kim_simulator_model_add_template_map
end interface kim_add_template_map
!> \brief \copybrief KIM::SimulatorModel::CloseTemplateMap
!!
!! \sa KIM::SimulatorModel::CloseTemplateMap,
!! KIM_SimulatorModel_CloseTemplateMap
!!
!! \since 2.1
interface kim_close_template_map
module procedure kim_simulator_model_close_template_map
end interface kim_close_template_map
!> \brief \copybrief KIM::SimulatorModel::GetNumberOfSimulatorFields
!!
!! \sa KIM::SimulatorModel::GetNumberOfSimulatorFields,
!! KIM_SimulatorModel_GetNumberOfSimulatorFields
!!
!! \since 2.1
interface kim_get_number_of_simulator_fields
module procedure kim_simulator_model_get_number_of_simulator_fields
end interface kim_get_number_of_simulator_fields
!> \brief \copybrief KIM::SimulatorModel::GetSimulatorFieldMetadata
!!
!! \sa KIM::SimulatorModel::GetSimulatorFieldMetadata,
!! KIM_SimulatorModel_GetSimulatorFieldMetadata
!!
!! \since 2.1
interface kim_get_simulator_field_metadata
module procedure kim_simulator_model_get_simulator_field_metadata
end interface kim_get_simulator_field_metadata
!> \brief \copybrief KIM::SimulatorModel::GetSimulatorFieldLine
!!
!! \sa KIM::SimulatorModel::GetSimulatorFieldLine,
!! KIM_SimulatorModel_GetSimulatorFieldLine
!!
!! \since 2.1
interface kim_get_simulator_field_line
module procedure kim_simulator_model_get_simulator_field_line
end interface kim_get_simulator_field_line
!> \brief \copybrief KIM::SimulatorModel::GetParameterFileDirectoryName
!!
!! \sa KIM::SimulatorModel::GetParameterFileDirectoryName,
!! KIM_SimulatorModel_GetParameterFileDirectoryName
!!
!! \since 2.1
interface kim_get_parameter_file_directory_name
module procedure kim_simulator_model_get_parameter_file_directory_name
end interface kim_get_parameter_file_directory_name
!> \brief \copybrief KIM::SimulatorModel::GetSpecificationFileName
!!
!! \sa KIM::SimulatorModel::GetSpecificationFileName,
!! KIM_SimulatorModel_GetSpecificationFileName
!!
!! \since 2.1
interface kim_get_specification_file_name
module procedure kim_simulator_model_get_specification_file_name
end interface kim_get_specification_file_name
!> \brief \copybrief KIM::SimulatorModel::GetNumberOfParameterFiles
!!
!! \sa KIM::SimulatorModel::GetNumberOfParameterFiles,
!! KIM_SimulatorModel_GetNumberOfParameterFiles
!!
!! \since 2.1
interface kim_get_number_of_parameter_files
module procedure kim_simulator_model_get_number_of_parameter_files
end interface kim_get_number_of_parameter_files
!> \brief \copybrief KIM::SimulatorModel::GetParameterFileName
!!
!! \sa KIM::SimulatorModel::GetParameterFileName,
!! KIM_SimulatorModel_GetParameterFileName
!!
!! \since 2.1
!!
!! \deprecated As of 2.2. Please use
!! kim_simulator_model_module::kim_get_parameter_file_basename() instead.
interface kim_get_parameter_file_name
module procedure kim_simulator_model_get_parameter_file_name
end interface kim_get_parameter_file_name
!> \brief \copybrief KIM::SimulatorModel::GetParameterFileBasename
!!
!! \sa KIM::SimulatorModel::GetParameterFileBasename,
!! KIM_SimulatorModel_GetParameterFileBasename
!!
!! \since 2.2
interface kim_get_parameter_file_basename
module procedure kim_simulator_model_get_parameter_file_basename
end interface kim_get_parameter_file_basename
!> \brief \copybrief KIM::SimulatorModel::SetSimulatorBufferPointer
!!
!! \sa KIM::SimulatorModel::SetSimulatorBufferPointer,
!! KIM_SimulatorModel_SetSimulatorBufferPointer
!!
!! \since 2.1
interface kim_set_simulator_buffer_pointer
module procedure kim_simulator_model_set_simulator_buffer_pointer
end interface kim_set_simulator_buffer_pointer
!> \brief \copybrief KIM::SimulatorModel::GetSimulatorBufferPointer
!!
!! \sa KIM::SimulatorModel::GetSimulatorBufferPointer,
!! KIM_SimulatorModel_GetSimulatorBufferPointer
!!
!! \since 2.1
interface kim_get_simulator_buffer_pointer
module procedure kim_simulator_model_get_simulator_buffer_pointer
end interface kim_get_simulator_buffer_pointer
!> \brief \copybrief KIM::SimulatorModel::ToString
!!
!! \sa KIM::SimulatorModel::ToString, KIM_SimulatorModel_ToString
!!
!! \since 2.1
interface kim_to_string
module procedure kim_simulator_model_to_string
end interface kim_to_string
!> \brief \copybrief KIM::SimulatorModel::SetLogID
!!
!! \sa KIM::SimulatorModel::SetLogID, KIM_SimulatorModel_SetLogID
!!
!! \since 2.1
interface kim_set_log_id
module procedure kim_simulator_model_set_log_id
end interface kim_set_log_id
!> \brief \copybrief KIM::SimulatorModel::PushLogVerbosity
!!
!! \sa KIM::SimulatorModel::PushLogVerbosity,
!! KIM_SimulatorModel_PushLogVerbosity
!!
!! \since 2.1
interface kim_push_log_verbosity
module procedure kim_simulator_model_push_log_verbosity
end interface kim_push_log_verbosity
!> \brief \copybrief KIM::SimulatorModel::PopLogVerbosity
!!
!! \sa KIM::SimulatorModel::, KIM_SimulatorModel_PopLogVerbosity
!!
!! \since 2.1
interface kim_pop_log_verbosity
module procedure kim_simulator_model_pop_log_verbosity
end interface kim_pop_log_verbosity
contains
!> \brief Compares kim_simulator_model_handle_type's for equality.
!!
!! \since 2.1
logical recursive function kim_simulator_model_handle_equal(lhs, rhs)
implicit none
type(kim_simulator_model_handle_type), intent(in) :: lhs
type(kim_simulator_model_handle_type), intent(in) :: rhs
if ((.not. c_associated(lhs%p)) .and. (.not. c_associated(rhs%p))) then
kim_simulator_model_handle_equal = .true.
else
kim_simulator_model_handle_equal = c_associated(lhs%p, rhs%p)
end if
end function kim_simulator_model_handle_equal
!> \brief Compares kim_simulator_model_handle_type's for inequality.
!!
!! \since 2.1
logical recursive function kim_simulator_model_handle_not_equal(lhs, rhs)
implicit none
type(kim_simulator_model_handle_type), intent(in) :: lhs
type(kim_simulator_model_handle_type), intent(in) :: rhs
kim_simulator_model_handle_not_equal = .not. (lhs == rhs)
end function kim_simulator_model_handle_not_equal
!> \brief \copybrief KIM::SimulatorModel::Create
!!
!! \sa KIM::SimulatorModel::Create, KIM_SimulatorModel_Create
!!
!! \since 2.1
recursive subroutine kim_simulator_model_create(simulator_model_name, &
simulator_model_handle, ierr)
implicit none
interface
integer(c_int) recursive function create( &
simulator_model_name, simulator_model) &
bind(c, name="KIM_SimulatorModel_Create")
use, intrinsic :: iso_c_binding
implicit none
character(c_char), intent(in) :: simulator_model_name(*)
type(c_ptr), intent(out) :: simulator_model
end function create
end interface
character(len=*, kind=c_char), intent(in) :: simulator_model_name
type(kim_simulator_model_handle_type), intent(out) :: simulator_model_handle
integer(c_int), intent(out) :: ierr
type(c_ptr) :: psimulator_model
ierr = create(trim(simulator_model_name)//c_null_char, psimulator_model)
simulator_model_handle%p = psimulator_model
end subroutine kim_simulator_model_create
!> \brief \copybrief KIM::SimulatorModel::Destroy
!!
!! \sa KIM::SimulatorModel::Destroy, KIM_SimulatorModel_Destroy
!!
!! \since 2.1
recursive subroutine kim_simulator_model_destroy(simulator_model_handle)
implicit none
interface
recursive subroutine destroy(simulator_model) &
bind(c, name="KIM_SimulatorModel_Destroy")
use, intrinsic :: iso_c_binding
implicit none
type(c_ptr), intent(inout) :: simulator_model
end subroutine destroy
end interface
type(kim_simulator_model_handle_type), intent(inout) :: &
simulator_model_handle
type(c_ptr) :: psimulator_model
psimulator_model = simulator_model_handle%p
call destroy(psimulator_model)
simulator_model_handle%p = c_null_ptr
end subroutine kim_simulator_model_destroy
!> \brief \copybrief KIM::SimulatorModel::GetSimulatorNameAndVersion
!!
!! \sa KIM::SimulatorModel::GetSimulatorNameAndVersion,
!! KIM_SimulatorModel_GetSimulatorNameAndVersion
!!
!! \since 2.1
recursive subroutine kim_simulator_model_get_simulator_name_and_version( &
simulator_model_handle, simulator_name, simulator_version)
use kim_interoperable_types_module, only: kim_simulator_model_type
use kim_convert_string_module, only: kim_convert_c_char_ptr_to_string
implicit none
interface
recursive subroutine get_simulator_name_and_version( &
simulator_model, simulator_name, simulator_version) &
bind(c, name="KIM_SimulatorModel_GetSimulatorNameAndVersion")
use, intrinsic :: iso_c_binding
use kim_interoperable_types_module, only: kim_simulator_model_type
implicit none
type(kim_simulator_model_type), intent(in) :: simulator_model
type(c_ptr), intent(out) :: simulator_name
type(c_ptr), intent(out) :: simulator_version
end subroutine get_simulator_name_and_version
end interface
type(kim_simulator_model_handle_type), intent(in) :: simulator_model_handle
character(len=*, kind=c_char), intent(out) :: simulator_name
character(len=*, kind=c_char), intent(out) :: simulator_version
type(kim_simulator_model_type), pointer :: simulator_model
type(c_ptr) psimulator_name, psimulator_version
call c_f_pointer(simulator_model_handle%p, simulator_model)
call get_simulator_name_and_version(simulator_model, psimulator_name, &
psimulator_version)
call kim_convert_c_char_ptr_to_string(psimulator_name, simulator_name)
call kim_convert_c_char_ptr_to_string(psimulator_version, simulator_version)
end subroutine kim_simulator_model_get_simulator_name_and_version
!> \brief \copybrief KIM::SimulatorModel::GetNumberOfSupportedSpecies
!!
!! \sa KIM::SimulatorModel::GetNumberOfSupportedSpecies,
!! KIM_SimulatorModel_GetNumberOfSupportedSpecies
!!
!! \since 2.1
recursive subroutine kim_simulator_model_get_number_of_supported_species( &
simulator_model_handle, number_of_supported_species)
use kim_interoperable_types_module, only: kim_simulator_model_type
implicit none
interface
recursive subroutine get_number_of_supported_species( &
simulator_model, number_of_supported_species) &
bind(c, name="KIM_SimulatorModel_GetNumberOfSupportedSpecies")
use, intrinsic :: iso_c_binding
use kim_interoperable_types_module, only: kim_simulator_model_type
implicit none
type(kim_simulator_model_type), intent(in) :: simulator_model
integer(c_int), intent(out) :: number_of_supported_species
end subroutine get_number_of_supported_species
end interface
type(kim_simulator_model_handle_type), intent(in) :: simulator_model_handle
integer(c_int), intent(out) :: number_of_supported_species
type(kim_simulator_model_type), pointer :: simulator_model
call c_f_pointer(simulator_model_handle%p, simulator_model)
call get_number_of_supported_species(simulator_model, &
number_of_supported_species)
end subroutine kim_simulator_model_get_number_of_supported_species
!> \brief \copybrief KIM::SimulatorModel::GetSupportedSpecies
!!
!! \sa KIM::SimulatorModel::GetSupportedSpecies,
!! KIM_SimulatorModel_GetSupportedSpecies
!!
!! \since 2.1
recursive subroutine kim_simulator_model_get_supported_species( &
simulator_model_handle, index, species_name, ierr)
use kim_interoperable_types_module, only: kim_simulator_model_type
use kim_convert_string_module, only: kim_convert_c_char_ptr_to_string
implicit none
interface
integer(c_int) recursive function get_supported_species( &
simulator_model, index, species_name) &
bind(c, name="KIM_SimulatorModel_GetSupportedSpecies")
use, intrinsic :: iso_c_binding
use kim_interoperable_types_module, only: kim_simulator_model_type
implicit none
type(kim_simulator_model_type), intent(in) :: simulator_model
integer(c_int), intent(in), value :: index
type(c_ptr), intent(out) :: species_name
end function get_supported_species
end interface
type(kim_simulator_model_handle_type), intent(in) :: simulator_model_handle
integer(c_int), intent(in) :: index
character(len=*, kind=c_char), intent(out) :: species_name
integer(c_int), intent(out) :: ierr
type(kim_simulator_model_type), pointer :: simulator_model
type(c_ptr) pspecies_name
call c_f_pointer(simulator_model_handle%p, simulator_model)
ierr = get_supported_species(simulator_model, index - 1, pspecies_name)
call kim_convert_c_char_ptr_to_string(pspecies_name, species_name)
end subroutine kim_simulator_model_get_supported_species
!> \brief \copybrief KIM::SimulatorModel::OpenAndInitializeTemplateMap
!!
!! \sa KIM::SimulatorModel::OpenAndInitializeTemplateMap,
!! KIM_SimulatorModel_OpenAndInitializeTemplateMap
!!
!! \since 2.1
recursive subroutine kim_simulator_model_open_and_initialize_template_map( &
simulator_model_handle)
use kim_interoperable_types_module, only: kim_simulator_model_type
implicit none
interface
recursive subroutine open_and_initialize_template_map(simulator_model) &
bind(c, name="KIM_SimulatorModel_OpenAndInitializeTemplateMap")
use, intrinsic :: iso_c_binding
use kim_interoperable_types_module, only: kim_simulator_model_type
implicit none
type(kim_simulator_model_type), intent(in) :: simulator_model
end subroutine open_and_initialize_template_map
end interface
type(kim_simulator_model_handle_type), intent(in) :: simulator_model_handle
type(kim_simulator_model_type), pointer :: simulator_model
call c_f_pointer(simulator_model_handle%p, simulator_model)
call open_and_initialize_template_map(simulator_model)
end subroutine kim_simulator_model_open_and_initialize_template_map
!> \brief \copybrief KIM::SimulatorModel::TemplateMapIsOpen
!!
!! \sa KIM::SimulatorModel::TemplateMapIsOpen,
!! KIM_SimulatorModel_TemplateMapIsOpen
!!
!! \since 2.1
integer(c_int) recursive function kim_simulator_model_template_map_is_open( &
simulator_model_handle)
use kim_interoperable_types_module, only: kim_simulator_model_type
implicit none
interface
integer(c_int) recursive function template_map_is_open(simulator_model) &
bind(c, name="KIM_SimulatorModel_TemplateMapIsOpen")
use, intrinsic :: iso_c_binding
use kim_interoperable_types_module, only: kim_simulator_model_type
implicit none
type(kim_simulator_model_type), intent(in) :: simulator_model
end function template_map_is_open
end interface
type(kim_simulator_model_handle_type), intent(in) :: simulator_model_handle
type(kim_simulator_model_type), pointer :: simulator_model
call c_f_pointer(simulator_model_handle%p, simulator_model)
kim_simulator_model_template_map_is_open = template_map_is_open( &
simulator_model)
end function kim_simulator_model_template_map_is_open
!> \brief \copybrief KIM::SimulatorModel::AddTemplateMap
!!
!! \sa KIM::SimulatorModel::AddTemplateMap, KIM_SimulatorModel_AddTemplateMap
!!
!! \since 2.1
recursive subroutine kim_simulator_model_add_template_map( &
simulator_model_handle, key, value, ierr)
use kim_interoperable_types_module, only: kim_simulator_model_type
use kim_convert_string_module, only: kim_convert_c_char_ptr_to_string
implicit none
interface
integer(c_int) recursive function add_template_map( &
simulator_model, key, value) &
bind(c, name="KIM_SimulatorModel_AddTemplateMap")
use, intrinsic :: iso_c_binding
use kim_interoperable_types_module, only: kim_simulator_model_type
implicit none
type(kim_simulator_model_type), intent(in) :: simulator_model
character(c_char), intent(in) :: key(*)
character(c_char), intent(in) :: value(*)
end function add_template_map
end interface
type(kim_simulator_model_handle_type), intent(in) :: simulator_model_handle
character(len=*, kind=c_char), intent(in) :: key
character(len=*, kind=c_char), intent(in) :: value
integer(c_int), intent(out) :: ierr
type(kim_simulator_model_type), pointer :: simulator_model
call c_f_pointer(simulator_model_handle%p, simulator_model)
ierr = add_template_map(simulator_model, trim(key)//c_null_char, &
trim(value)//c_null_char)
end subroutine kim_simulator_model_add_template_map
!> \brief \copybrief KIM::SimulatorModel::CloseTemplateMap
!!
!! \sa KIM::SimulatorModel::CloseTemplateMap,
!! KIM_SimulatorModel_CloseTemplateMap
!!
!! \since 2.1
recursive subroutine kim_simulator_model_close_template_map( &
simulator_model_handle)
use kim_interoperable_types_module, only: kim_simulator_model_type
implicit none
interface
recursive subroutine close_template_map(simulator_model) &
bind(c, name="KIM_SimulatorModel_CloseTemplateMap")
use, intrinsic :: iso_c_binding
use kim_interoperable_types_module, only: kim_simulator_model_type
implicit none
type(kim_simulator_model_type), intent(in) :: simulator_model
end subroutine close_template_map
end interface
type(kim_simulator_model_handle_type), intent(in) :: simulator_model_handle
type(kim_simulator_model_type), pointer :: simulator_model
call c_f_pointer(simulator_model_handle%p, simulator_model)
call close_template_map(simulator_model)
end subroutine kim_simulator_model_close_template_map
!> \brief \copybrief KIM::SimulatorModel::GetNumberOfSimulatorFields
!!
!! \sa KIM::SimulatorModel::GetNumberOfSimulatorFields,
!! KIM_SimulatorModel_GetNumberOfSimulatorFields
!!
!! \since 2.1
recursive subroutine kim_simulator_model_get_number_of_simulator_fields( &
simulator_model_handle, number_of_simulator_fields)
use kim_interoperable_types_module, only: kim_simulator_model_type
implicit none
interface
recursive subroutine get_number_of_simulator_fields( &
simulator_model, number_of_simulator_fields) &
bind(c, name="KIM_SimulatorModel_GetNumberOfSimulatorFields")
use, intrinsic :: iso_c_binding
use kim_interoperable_types_module, only: kim_simulator_model_type
implicit none
type(kim_simulator_model_type), intent(in) :: simulator_model
integer(c_int), intent(out) :: number_of_simulator_fields
end subroutine get_number_of_simulator_fields
end interface
type(kim_simulator_model_handle_type), intent(in) :: simulator_model_handle
integer(c_int), intent(out) :: number_of_simulator_fields
type(kim_simulator_model_type), pointer :: simulator_model
call c_f_pointer(simulator_model_handle%p, simulator_model)
call get_number_of_simulator_fields(simulator_model, &
number_of_simulator_fields)
end subroutine kim_simulator_model_get_number_of_simulator_fields
!> \brief \copybrief KIM::SimulatorModel::GetSimulatorFieldMetadata
!!
!! \sa KIM::SimulatorModel::GetSimulatorFieldMetadata,
!! KIM_SimulatorModel_GetSimulatorFieldMetadata
!!
!! \since 2.1
recursive subroutine kim_simulator_model_get_simulator_field_metadata( &
simulator_model_handle, field_index, extent, field_name, ierr)
use kim_interoperable_types_module, only: kim_simulator_model_type
use kim_convert_string_module, only: kim_convert_c_char_ptr_to_string
implicit none
interface
integer(c_int) recursive function get_simulator_field_metadata( &
simulator_model, field_index, extent, field_name) &
bind(c, name="KIM_SimulatorModel_GetSimulatorFieldMetadata")
use, intrinsic :: iso_c_binding
use kim_interoperable_types_module, only: kim_simulator_model_type
implicit none
type(kim_simulator_model_type), intent(in) :: simulator_model
integer(c_int), intent(in), value :: field_index
integer(c_int), intent(out) :: extent
type(c_ptr), intent(out) :: field_name
end function get_simulator_field_metadata
end interface
type(kim_simulator_model_handle_type), intent(in) :: simulator_model_handle
integer(c_int), intent(in) :: field_index
integer(c_int), intent(out) :: extent
character(len=*, kind=c_char), intent(out) :: field_name
integer(c_int), intent(out) :: ierr
type(kim_simulator_model_type), pointer :: simulator_model
type(c_ptr) pfield_name
call c_f_pointer(simulator_model_handle%p, simulator_model)
ierr = get_simulator_field_metadata(simulator_model, field_index - 1, &
extent, pfield_name)
call kim_convert_c_char_ptr_to_string(pfield_name, field_name)
end subroutine kim_simulator_model_get_simulator_field_metadata
!> \brief \copybrief KIM::SimulatorModel::GetSimulatorFieldLine
!!
!! \sa KIM::SimulatorModel::GetSimulatorFieldLine,
!! KIM_SimulatorModel_GetSimulatorFieldLine
!!
!! \since 2.1
recursive subroutine kim_simulator_model_get_simulator_field_line( &
simulator_model_handle, field_index, line_index, line_value, ierr)
use kim_interoperable_types_module, only: kim_simulator_model_type
use kim_convert_string_module, only: kim_convert_c_char_ptr_to_string
implicit none
interface
integer(c_int) recursive function get_simulator_field_line( &
simulator_model, field_index, line_index, line_value) &
bind(c, name="KIM_SimulatorModel_GetSimulatorFieldLine")
use, intrinsic :: iso_c_binding
use kim_interoperable_types_module, only: kim_simulator_model_type
implicit none
type(kim_simulator_model_type), intent(in) :: simulator_model
integer(c_int), intent(in), value :: field_index
integer(c_int), intent(in), value :: line_index
type(c_ptr), intent(out) :: line_value
end function get_simulator_field_line
end interface
type(kim_simulator_model_handle_type), intent(in) :: simulator_model_handle
integer(c_int), intent(in), value :: field_index
integer(c_int), intent(in), value :: line_index
character(len=*, kind=c_char), intent(out) :: line_value
integer(c_int), intent(out) :: ierr
type(kim_simulator_model_type), pointer :: simulator_model
type(c_ptr) pline_value
call c_f_pointer(simulator_model_handle%p, simulator_model)
ierr = get_simulator_field_line(simulator_model, field_index - 1, &
line_index - 1, pline_value)
call kim_convert_c_char_ptr_to_string(pline_value, line_value)
end subroutine kim_simulator_model_get_simulator_field_line
!> \brief \copybrief KIM::SimulatorModel::GetParameterFileDirectoryName
!!
!! \sa KIM::SimulatorModel::GetParameterFileDirectoryName,
!! KIM_SimulatorModel_GetParameterFileDirectoryName
!!
!! \since 2.1
recursive subroutine kim_simulator_model_get_parameter_file_directory_name( &
simulator_model_handle, directory_name)
use kim_interoperable_types_module, only: kim_simulator_model_type
use kim_convert_string_module, only: kim_convert_c_char_ptr_to_string
implicit none
interface
recursive subroutine get_parameter_file_directory_name(simulator_model, &
directory_name) &
bind(c, name="KIM_SimulatorModel_GetParameterFileDirectoryName")
use, intrinsic :: iso_c_binding
use kim_interoperable_types_module, only: kim_simulator_model_type
implicit none
type(kim_simulator_model_type), intent(in) :: simulator_model
type(c_ptr), intent(out) :: directory_name
end subroutine get_parameter_file_directory_name
end interface
type(kim_simulator_model_handle_type), intent(in) :: simulator_model_handle
character(len=*, kind=c_char), intent(out) :: directory_name
type(kim_simulator_model_type), pointer :: simulator_model
type(c_ptr) pdirectory_name
call c_f_pointer(simulator_model_handle%p, simulator_model)
call get_parameter_file_directory_name(simulator_model, pdirectory_name)
call kim_convert_c_char_ptr_to_string(pdirectory_name, directory_name)
end subroutine kim_simulator_model_get_parameter_file_directory_name
!> \brief \copybrief KIM::SimulatorModel::GetSpecificationFileName
!!
!! \sa KIM::SimulatorModel::GetSpecificationFileName,
!! KIM_SimulatorModel_GetSpecificationFileName
!!
!! \since 2.1
recursive subroutine kim_simulator_model_get_specification_file_name( &
simulator_model_handle, specification_file_name)
use kim_interoperable_types_module, only: kim_simulator_model_type
use kim_convert_string_module, only: kim_convert_c_char_ptr_to_string
implicit none
interface
recursive subroutine get_specification_file_name( &
simulator_model, specification_file_name) &
bind(c, name="KIM_SimulatorModel_GetSpecificationFileName")
use, intrinsic :: iso_c_binding
use kim_interoperable_types_module, only: kim_simulator_model_type
implicit none
type(kim_simulator_model_type), intent(in) :: simulator_model
type(c_ptr), intent(out) :: specification_file_name
end subroutine get_specification_file_name
end interface
type(kim_simulator_model_handle_type), intent(in) :: simulator_model_handle
character(len=*, kind=c_char), intent(out) :: specification_file_name
type(kim_simulator_model_type), pointer :: simulator_model
type(c_ptr) pspecification_file_name
call c_f_pointer(simulator_model_handle%p, simulator_model)
call get_specification_file_name(simulator_model, pspecification_file_name)
call kim_convert_c_char_ptr_to_string(pspecification_file_name, &
specification_file_name)
end subroutine kim_simulator_model_get_specification_file_name
!> \brief \copybrief KIM::SimulatorModel::GetNumberOfParameterFiles
!!
!! \sa KIM::SimulatorModel::GetNumberOfParameterFiles,
!! KIM_SimulatorModel_GetNumberOfParameterFiles
!!
!! \since 2.1
recursive subroutine kim_simulator_model_get_number_of_parameter_files( &
simulator_model_handle, number_of_parameter_files)
use kim_interoperable_types_module, only: kim_simulator_model_type
implicit none
interface
recursive subroutine get_number_of_parameter_files( &
simulator_model, number_of_parameter_files) &
bind(c, name="KIM_SimulatorModel_GetNumberOfParameterFiles")
use, intrinsic :: iso_c_binding
use kim_interoperable_types_module, only: kim_simulator_model_type
implicit none
type(kim_simulator_model_type), intent(in) :: simulator_model
integer(c_int), intent(out) :: number_of_parameter_files
end subroutine get_number_of_parameter_files
end interface
type(kim_simulator_model_handle_type), intent(in) :: simulator_model_handle
integer(c_int), intent(out) :: number_of_parameter_files
type(kim_simulator_model_type), pointer :: simulator_model
call c_f_pointer(simulator_model_handle%p, simulator_model)
call get_number_of_parameter_files(simulator_model, &
number_of_parameter_files)
end subroutine kim_simulator_model_get_number_of_parameter_files
!> \brief \copybrief KIM::SimulatorModel::GetParameterFileName
!!
!! \sa KIM::SimulatorModel::GetParameterFileName,
!! KIM_SimulatorModel_GetParameterFileName
!!
!! \since 2.1
!!
!! \deprecated As of 2.2. Please use
!! kim_simulator_model_module::kim_get_parameter_file_basename() instead.
recursive subroutine kim_simulator_model_get_parameter_file_name( &
simulator_model_handle, index, parameter_file_name, ierr)
use kim_interoperable_types_module, only: kim_simulator_model_type
use kim_convert_string_module, only: kim_convert_c_char_ptr_to_string
implicit none
interface
integer(c_int) recursive function get_parameter_file_name( &
simulator_model, index, parameter_file_name) &
bind(c, name="KIM_SimulatorModel_GetParameterFileName")
use, intrinsic :: iso_c_binding
use kim_interoperable_types_module, only: kim_simulator_model_type
implicit none
type(kim_simulator_model_type), intent(in) :: simulator_model
integer(c_int), intent(in), value :: index
type(c_ptr), intent(out) :: parameter_file_name
end function get_parameter_file_name
end interface
type(kim_simulator_model_handle_type), intent(in) :: simulator_model_handle
integer(c_int), intent(in) :: index
character(len=*, kind=c_char), intent(out) :: parameter_file_name
integer(c_int), intent(out) :: ierr
type(kim_simulator_model_type), pointer :: simulator_model
type(c_ptr) pparameter_file_name
call c_f_pointer(simulator_model_handle%p, simulator_model)
ierr = get_parameter_file_name(simulator_model, index - 1, &
pparameter_file_name)
call kim_convert_c_char_ptr_to_string(pparameter_file_name, &
parameter_file_name)
end subroutine kim_simulator_model_get_parameter_file_name
!> \brief \copybrief KIM::SimulatorModel::GetParameterFileBasename
!!
!! \sa KIM::SimulatorModel::GetParameterFileBasename,
!! KIM_SimulatorModel_GetParameterFileBasename
!!
!! \since 2.2
recursive subroutine kim_simulator_model_get_parameter_file_basename( &
simulator_model_handle, index, parameter_file_basename, ierr)
use kim_interoperable_types_module, only: kim_simulator_model_type
use kim_convert_string_module, only: kim_convert_c_char_ptr_to_string
implicit none
interface
integer(c_int) recursive function get_parameter_file_basename( &
simulator_model, index, parameter_file_basename) &
bind(c, name="KIM_SimulatorModel_GetParameterFileBasename")
use, intrinsic :: iso_c_binding
use kim_interoperable_types_module, only: kim_simulator_model_type
implicit none
type(kim_simulator_model_type), intent(in) :: simulator_model
integer(c_int), intent(in), value :: index
type(c_ptr), intent(out) :: parameter_file_basename
end function get_parameter_file_basename
end interface
type(kim_simulator_model_handle_type), intent(in) :: simulator_model_handle
integer(c_int), intent(in) :: index
character(len=*, kind=c_char), intent(out) :: parameter_file_basename
integer(c_int), intent(out) :: ierr
type(kim_simulator_model_type), pointer :: simulator_model
type(c_ptr) pparameter_file_basename
call c_f_pointer(simulator_model_handle%p, simulator_model)
ierr = get_parameter_file_basename(simulator_model, index - 1, &
pparameter_file_basename)
call kim_convert_c_char_ptr_to_string(pparameter_file_basename, &
parameter_file_basename)
end subroutine kim_simulator_model_get_parameter_file_basename
!> \brief \copybrief KIM::SimulatorModel::SetSimulatorBufferPointer
!!
!! \sa KIM::SimulatorModel::SetSimulatorBufferPointer,
!! KIM_SimulatorModel_SetSimulatorBufferPointer
!!
!! \since 2.1
recursive subroutine kim_simulator_model_set_simulator_buffer_pointer( &
simulator_model_handle, ptr)
use kim_interoperable_types_module, only: kim_simulator_model_type
implicit none
interface
recursive subroutine set_simulator_buffer_pointer(simulator_model, ptr) &
bind(c, name="KIM_SimulatorModel_SetSimulatorBufferPointer")
use, intrinsic :: iso_c_binding
use kim_interoperable_types_module, only: kim_simulator_model_type
implicit none
type(kim_simulator_model_type), intent(in) :: simulator_model
type(c_ptr), intent(in), value :: ptr
end subroutine set_simulator_buffer_pointer
end interface
type(kim_simulator_model_handle_type), intent(in) :: simulator_model_handle
type(c_ptr), intent(in) :: ptr
type(kim_simulator_model_type), pointer :: simulator_model
call c_f_pointer(simulator_model_handle%p, simulator_model)
call set_simulator_buffer_pointer(simulator_model, ptr)
end subroutine kim_simulator_model_set_simulator_buffer_pointer
!> \brief \copybrief KIM::SimulatorModel::GetSimulatorBufferPointer
!!
!! \sa KIM::SimulatorModel::GetSimulatorBufferPointer,
!! KIM_SimulatorModel_GetSimulatorBufferPointer
!!
!! \since 2.1
recursive subroutine kim_simulator_model_get_simulator_buffer_pointer( &
simulator_model_handle, ptr)
use kim_interoperable_types_module, only: kim_simulator_model_type
implicit none
interface
recursive subroutine get_simulator_buffer_pointer(simulator_model, ptr) &
bind(c, name="KIM_SimulatorModel_GetSimulatorBufferPointer")
use, intrinsic :: iso_c_binding
use kim_interoperable_types_module, only: kim_simulator_model_type
implicit none
type(kim_simulator_model_type), intent(in) :: simulator_model
type(c_ptr), intent(out) :: ptr
end subroutine get_simulator_buffer_pointer
end interface
type(kim_simulator_model_handle_type), intent(in) :: simulator_model_handle
type(c_ptr), intent(out) :: ptr
type(kim_simulator_model_type), pointer :: simulator_model
call c_f_pointer(simulator_model_handle%p, simulator_model)
call get_simulator_buffer_pointer(simulator_model, ptr)
end subroutine kim_simulator_model_get_simulator_buffer_pointer
!> \brief \copybrief KIM::SimulatorModel::ToString
!!
!! \sa KIM::SimulatorModel::ToString, KIM_SimulatorModel_ToString
!!
!! \since 2.1
recursive subroutine kim_simulator_model_to_string(simulator_model_handle, &
string)
use kim_convert_string_module, only: kim_convert_c_char_ptr_to_string
use kim_interoperable_types_module, only: kim_simulator_model_type
implicit none
interface
type(c_ptr) recursive function model_string(simulator_model) &
bind(c, name="KIM_SimulatorModel_ToString")
use, intrinsic :: iso_c_binding
use kim_interoperable_types_module, only: kim_simulator_model_type
implicit none
type(kim_simulator_model_type), intent(in) :: simulator_model
end function model_string
end interface
type(kim_simulator_model_handle_type), intent(in) :: simulator_model_handle
character(len=*, kind=c_char), intent(out) :: string
type(kim_simulator_model_type), pointer :: simulator_model
type(c_ptr) :: p
call c_f_pointer(simulator_model_handle%p, simulator_model)
p = model_string(simulator_model)
call kim_convert_c_char_ptr_to_string(p, string)
end subroutine kim_simulator_model_to_string
!> \brief \copybrief KIM::SimulatorModel::SetLogID
!!
!! \sa KIM::SimulatorModel::SetLogID, KIM_SimulatorModel_SetLogID
!!
!! \since 2.1
recursive subroutine kim_simulator_model_set_log_id(simulator_model_handle, &
log_id)
use kim_interoperable_types_module, only: kim_simulator_model_type
implicit none
interface
recursive subroutine set_log_id(simulator_model, log_id) &
bind(c, name="KIM_SimulatorModel_SetLogID")
use, intrinsic :: iso_c_binding
use kim_interoperable_types_module, only: kim_simulator_model_type
implicit none
type(kim_simulator_model_type), intent(in) :: simulator_model
character(c_char), intent(in) :: log_id(*)
end subroutine set_log_id
end interface
type(kim_simulator_model_handle_type), intent(in) :: simulator_model_handle
character(len=*, kind=c_char), intent(in) :: log_id
type(kim_simulator_model_type), pointer :: simulator_model
call c_f_pointer(simulator_model_handle%p, simulator_model)
call set_log_id(simulator_model, trim(log_id)//c_null_char)
end subroutine kim_simulator_model_set_log_id
!> \brief \copybrief KIM::SimulatorModel::PushLogVerbosity
!!
!! \sa KIM::SimulatorModel::PushLogVerbosity,
!! KIM_SimulatorModel_PushLogVerbosity
!!
!! \since 2.1
recursive subroutine kim_simulator_model_push_log_verbosity( &
simulator_model_handle, log_verbosity)
use kim_log_verbosity_module, only: kim_log_verbosity_type
use kim_interoperable_types_module, only: kim_simulator_model_type
implicit none
interface
recursive subroutine push_log_verbosity(simulator_model, log_verbosity) &
bind(c, name="KIM_SimulatorModel_PushLogVerbosity")
use, intrinsic :: iso_c_binding
use kim_log_verbosity_module, only: kim_log_verbosity_type
use kim_interoperable_types_module, only: kim_simulator_model_type
implicit none
type(kim_simulator_model_type), intent(in) :: simulator_model
type(kim_log_verbosity_type), intent(in), value :: log_verbosity
end subroutine push_log_verbosity
end interface
type(kim_simulator_model_handle_type), intent(in) :: simulator_model_handle
type(kim_log_verbosity_type), intent(in) :: log_verbosity
type(kim_simulator_model_type), pointer :: simulator_model
call c_f_pointer(simulator_model_handle%p, simulator_model)
call push_log_verbosity(simulator_model, log_verbosity)
end subroutine kim_simulator_model_push_log_verbosity
!> \brief \copybrief KIM::SimulatorModel::PopLogVerbosity
!!
!! \sa KIM::SimulatorModel::, KIM_SimulatorModel_PopLogVerbosity
!!
!! \since 2.1
recursive subroutine kim_simulator_model_pop_log_verbosity( &
simulator_model_handle)
use kim_log_verbosity_module, only: kim_log_verbosity_type
use kim_interoperable_types_module, only: kim_simulator_model_type
implicit none
interface
recursive subroutine pop_log_verbosity(simulator_model) &
bind(c, name="KIM_SimulatorModel_PopLogVerbosity")
use, intrinsic :: iso_c_binding
use kim_log_verbosity_module, only: kim_log_verbosity_type
use kim_interoperable_types_module, only: kim_simulator_model_type
implicit none
type(kim_simulator_model_type), intent(in) :: simulator_model
end subroutine pop_log_verbosity
end interface
type(kim_simulator_model_handle_type), intent(in) :: simulator_model_handle
type(kim_simulator_model_type), pointer :: simulator_model
call c_f_pointer(simulator_model_handle%p, simulator_model)
call pop_log_verbosity(simulator_model)
end subroutine kim_simulator_model_pop_log_verbosity
end module kim_simulator_model_module
|