FUNCTION f_lammps_version() BIND(C) USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int USE LIBLAMMPS USE keepstuff, ONLY : lmp IMPLICIT NONE INTEGER(c_int) :: f_lammps_version f_lammps_version = lmp%version() END FUNCTION f_lammps_version FUNCTION f_lammps_mpi_support() BIND(C) USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int USE LIBLAMMPS USE keepstuff, ONLY : lmp IMPLICIT NONE INTEGER(c_int) :: f_lammps_mpi_support IF (lmp%config_has_mpi_support()) THEN f_lammps_mpi_support = 1_c_int ELSE f_lammps_mpi_support = 0_c_int END IF END FUNCTION f_lammps_mpi_support FUNCTION f_lammps_gzip_support() BIND(C) USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int USE LIBLAMMPS USE keepstuff, ONLY : lmp IMPLICIT NONE INTEGER(c_int) :: f_lammps_gzip_support IF (lmp%config_has_gzip_support()) THEN f_lammps_gzip_support = 1_c_int ELSE f_lammps_gzip_support = 0_c_int END IF END FUNCTION f_lammps_gzip_support FUNCTION f_lammps_png_support() BIND(C) USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int USE LIBLAMMPS USE keepstuff, ONLY : lmp IMPLICIT NONE INTEGER(c_int) :: f_lammps_png_support IF (lmp%config_has_png_support()) THEN f_lammps_png_support = 1_c_int ELSE f_lammps_png_support = 0_c_int END IF END FUNCTION f_lammps_png_support FUNCTION f_lammps_jpeg_support() BIND(C) USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int USE LIBLAMMPS USE keepstuff, ONLY : lmp IMPLICIT NONE INTEGER(c_int) :: f_lammps_jpeg_support IF (lmp%config_has_jpeg_support()) THEN f_lammps_jpeg_support = 1_c_int ELSE f_lammps_jpeg_support = 0_c_int END IF END FUNCTION f_lammps_jpeg_support FUNCTION f_lammps_ffmpeg_support() BIND(C) USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int USE LIBLAMMPS USE keepstuff, ONLY : lmp IMPLICIT NONE INTEGER(c_int) :: f_lammps_ffmpeg_support IF (lmp%config_has_ffmpeg_support()) THEN f_lammps_ffmpeg_support = 1_c_int ELSE f_lammps_ffmpeg_support = 0_c_int END IF END FUNCTION f_lammps_ffmpeg_support FUNCTION f_lammps_has_exceptions() BIND(C) USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int USE LIBLAMMPS USE keepstuff, ONLY : lmp IMPLICIT NONE INTEGER(c_int) :: f_lammps_has_exceptions IF (lmp%config_has_exceptions()) THEN f_lammps_has_exceptions = 1_c_int ELSE f_lammps_has_exceptions = 0_c_int END IF END FUNCTION f_lammps_has_exceptions FUNCTION f_lammps_has_package(Cname) BIND(C) USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int, c_size_t, c_ptr, c_char, & C_F_POINTER USE LIBLAMMPS USE keepstuff, ONLY : lmp, c_strlen IMPLICIT NONE TYPE(c_ptr), VALUE :: Cname INTEGER(c_int) :: f_lammps_has_package CHARACTER(LEN=1,KIND=c_char), DIMENSION(:), POINTER :: Fname CHARACTER(LEN=:), ALLOCATABLE :: name INTEGER(c_size_t) :: length INTEGER :: i length = c_strlen(Cname) CALL C_F_POINTER(Cname, Fname, [length]) ALLOCATE(CHARACTER(LEN=length) :: name) DO i = 1, length name(i:i) = Fname(i) END DO IF (lmp%config_has_package(name)) THEN f_lammps_has_package = 1_c_int ELSE f_lammps_has_package = 0_c_int END IF END FUNCTION f_lammps_has_package FUNCTION f_lammps_package_count() BIND(C) USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int USE keepstuff, ONLY : lmp IMPLICIT NONE INTEGER(c_int) :: f_lammps_package_count f_lammps_package_count = lmp%config_package_count() END FUNCTION f_lammps_package_count FUNCTION f_lammps_package_name(idx) BIND(C) USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_ptr, c_null_ptr, c_int USE keepstuff, ONLY : lmp, f2c_string IMPLICIT NONE INTEGER(c_int), VALUE :: idx TYPE(c_ptr) :: f_lammps_package_name CHARACTER(LEN=80) :: buffer CALL lmp%config_package_name(idx, buffer) IF (LEN_TRIM(buffer) > 0) THEN f_lammps_package_name = f2c_string(buffer) ELSE f_lammps_package_name = c_null_ptr END IF END FUNCTION f_lammps_package_name FUNCTION f_lammps_config_accelerator(package, category, setting) BIND(C) USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int, c_ptr, c_size_t, c_char, & C_F_POINTER USE keepstuff, ONLY : lmp, c_strlen USE LIBLAMMPS IMPLICIT NONE TYPE(c_ptr), VALUE :: package, category, setting INTEGER(c_int) :: f_lammps_config_accelerator INTEGER(c_size_t) :: len_package, len_category, len_setting CHARACTER(LEN=1,KIND=c_char), POINTER :: Cpackage(:),Ccategory(:),Csetting(:) CHARACTER(LEN=:), ALLOCATABLE :: Fpackage, Fcategory, Fsetting INTEGER :: i LOGICAL :: configured len_package = c_strlen(package) len_category = c_strlen(category) len_setting = c_strlen(setting) ALLOCATE(CHARACTER(LEN=len_package) :: Fpackage) ALLOCATE(CHARACTER(LEN=len_category) :: Fcategory) ALLOCATE(CHARACTER(LEN=len_setting) :: Fsetting) CALL C_F_POINTER(package, Cpackage, [len_package]) CALL C_F_POINTER(category, Ccategory, [len_category]) CALL C_F_POINTER(setting, Csetting, [len_setting]) DO i = 1, len_package Fpackage(i:i) = Cpackage(i) END DO DO i = 1, len_category Fcategory(i:i) = Ccategory(i) END DO DO i = 1, len_setting Fsetting(i:i) = Csetting(i) END DO configured = lmp%config_accelerator(Fpackage, Fcategory, Fsetting) IF (configured) THEN f_lammps_config_accelerator = 1_c_int ELSE f_lammps_config_accelerator = 0_c_int END IF END FUNCTION f_lammps_config_accelerator FUNCTION f_lammps_has_gpu() BIND(C) USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int USE keepstuff, ONLY : lmp IMPLICIT NONE INTEGER(c_int) :: f_lammps_has_gpu IF (lmp%has_gpu_device()) THEN f_lammps_has_gpu = 1_c_int ELSE f_lammps_has_gpu = 0_c_int END IF END FUNCTION f_lammps_has_gpu FUNCTION f_lammps_get_gpu_info(buf_size) RESULT(info) BIND(C) USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_size_t, c_ptr USE keepstuff, ONLY : lmp, f2c_string IMPLICIT NONE INTEGER(c_size_t), VALUE :: buf_size TYPE(c_ptr) :: info CHARACTER(LEN=buf_size) :: string CALL lmp%get_gpu_device_info(string) info = f2c_string(string) END FUNCTION f_lammps_get_gpu_info