make capitalization and whitespace fortran coding style more consistent
This commit is contained in:
Axel Kohlmeyer
@ -22,7 +22,7 @@ SUBROUTINE f_lammps_close() BIND(C, name="f_lammps_close")
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lmp%handle = c_null_ptr
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END SUBROUTINE f_lammps_close
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SUBROUTINE f_lammps_setup_extract_global () BIND(C)
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SUBROUTINE f_lammps_setup_extract_global() BIND(C)
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USE LIBLAMMPS
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USE keepstuff, ONLY : lmp, big_input, cont_input, pair_input
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IMPLICIT NONE
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@ -33,12 +33,12 @@ SUBROUTINE f_lammps_setup_extract_global () BIND(C)
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CALL lmp%command('run 0')
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END SUBROUTINE f_lammps_setup_extract_global
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SUBROUTINE f_lammps_setup_full_extract_global () BIND(C)
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SUBROUTINE f_lammps_setup_full_extract_global() BIND(C)
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USE LIBLAMMPS
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USE keepstuff, ONLY : lmp
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IMPLICIT NONE
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INTERFACE
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SUBROUTINE f_lammps_setup_extract_global () BIND(C)
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SUBROUTINE f_lammps_setup_extract_global() BIND(C)
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END SUBROUTINE f_lammps_setup_extract_global
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END INTERFACE
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@ -50,422 +50,428 @@ SUBROUTINE f_lammps_setup_full_extract_global () BIND(C)
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CALL lmp%command('run 0')
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END SUBROUTINE f_lammps_setup_full_extract_global
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FUNCTION f_lammps_extract_global_units () BIND(C) RESULT(success)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : C_int
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FUNCTION f_lammps_extract_global_units() BIND(C) RESULT(success)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int
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USE LIBLAMMPS
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USE keepstuff, ONLY : lmp
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IMPLICIT NONE
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INTEGER (C_int) :: success
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CHARACTER (LEN=16) :: units
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INTEGER(c_int) :: success
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CHARACTER(LEN=16) :: units
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! passing strings from Fortran to C is icky, so we do the test here and
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! report the result instead
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units = lmp%extract_global('units')
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IF ( TRIM(units) == 'lj' ) THEN
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success = 1_C_int
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IF (TRIM(units) == 'lj') THEN
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success = 1_c_int
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ELSE
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success = 0_C_int
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success = 0_c_int
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END IF
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END FUNCTION f_lammps_extract_global_units
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FUNCTION f_lammps_extract_global_ntimestep () BIND(C)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : C_int
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FUNCTION f_lammps_extract_global_ntimestep() BIND(C)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int
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USE keepstuff, ONLY : lmp
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USE LIBLAMMPS
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IMPLICIT NONE
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INTEGER (C_int), POINTER :: ntimestep
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INTEGER (C_int) :: f_lammps_extract_global_ntimestep
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INTEGER(c_int), POINTER :: ntimestep
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INTEGER(c_int) :: f_lammps_extract_global_ntimestep
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ntimestep = lmp%extract_global("ntimestep")
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f_lammps_extract_global_ntimestep = ntimestep
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END FUNCTION f_lammps_extract_global_ntimestep
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FUNCTION f_lammps_extract_global_ntimestep_big () BIND(C)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : C_int64_t
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FUNCTION f_lammps_extract_global_ntimestep_big() BIND(C)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int64_t
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USE keepstuff, ONLY : lmp
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USE LIBLAMMPS
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IMPLICIT NONE
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INTEGER (C_int64_t), POINTER :: ntimestep
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INTEGER (C_int64_t) :: f_lammps_extract_global_ntimestep_big
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INTEGER(c_int64_t), POINTER :: ntimestep
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INTEGER(c_int64_t) :: f_lammps_extract_global_ntimestep_big
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ntimestep = lmp%extract_global("ntimestep")
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f_lammps_extract_global_ntimestep_big = ntimestep
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END FUNCTION f_lammps_extract_global_ntimestep_big
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FUNCTION f_lammps_extract_global_dt () BIND(C)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : C_double
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FUNCTION f_lammps_extract_global_dt() BIND(C)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_double
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USE keepstuff, ONLY : lmp
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USE LIBLAMMPS
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IMPLICIT NONE
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REAL (C_double), POINTER :: dt
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REAL (C_double) :: f_lammps_extract_global_dt
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REAL(c_double), POINTER :: dt
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REAL(c_double) :: f_lammps_extract_global_dt
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dt = lmp%extract_global("dt")
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f_lammps_extract_global_dt = dt
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END FUNCTION f_lammps_extract_global_dt
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SUBROUTINE f_lammps_extract_global_boxlo (C_boxlo) BIND(C)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : C_double
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SUBROUTINE f_lammps_extract_global_boxlo(C_boxlo) BIND(C)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_double
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USE keepstuff, ONLY : lmp
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USE LIBLAMMPS
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IMPLICIT NONE
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REAL (C_double), DIMENSION(3) :: C_boxlo
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REAL (C_double), DIMENSION(:), POINTER :: boxlo
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REAL(c_double), DIMENSION(3) :: C_boxlo
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REAL(c_double), DIMENSION(:), POINTER :: boxlo
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boxlo = lmp%extract_global("boxlo")
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C_boxlo = boxlo
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END SUBROUTINE f_lammps_extract_global_boxlo
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SUBROUTINE f_lammps_extract_global_boxhi (C_boxhi) BIND(C)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : C_double
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SUBROUTINE f_lammps_extract_global_boxhi(C_boxhi) BIND(C)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_double
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USE keepstuff, ONLY : lmp
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USE LIBLAMMPS
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IMPLICIT NONE
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REAL (C_double), DIMENSION(3) :: C_boxhi
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REAL (C_double), DIMENSION(:), POINTER :: boxhi
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REAL(c_double), DIMENSION(3) :: C_boxhi
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REAL(c_double), DIMENSION(:), POINTER :: boxhi
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boxhi = lmp%extract_global("boxhi")
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C_boxhi = boxhi
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END SUBROUTINE f_lammps_extract_global_boxhi
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FUNCTION f_lammps_extract_global_boxxlo () BIND(C) RESULT(C_boxxlo)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : C_double
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FUNCTION f_lammps_extract_global_boxxlo() BIND(C) RESULT(C_boxxlo)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_double
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USE keepstuff, ONLY : lmp
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USE LIBLAMMPS
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IMPLICIT NONE
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REAL (C_double) :: C_boxxlo
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REAL (C_double), POINTER :: boxxlo
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REAL(c_double) :: C_boxxlo
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REAL(c_double), POINTER :: boxxlo
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boxxlo = lmp%extract_global("boxxlo")
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C_boxxlo = boxxlo
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END FUNCTION f_lammps_extract_global_boxxlo
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FUNCTION f_lammps_extract_global_boxxhi () BIND(C) RESULT(C_boxxhi)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : C_double
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FUNCTION f_lammps_extract_global_boxxhi() BIND(C) RESULT(C_boxxhi)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_double
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USE keepstuff, ONLY : lmp
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USE LIBLAMMPS
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IMPLICIT NONE
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REAL (C_double) :: C_boxxhi
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REAL (C_double), POINTER :: boxxhi
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REAL(c_double) :: C_boxxhi
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REAL(c_double), POINTER :: boxxhi
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boxxhi = lmp%extract_global("boxxhi")
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C_boxxhi = boxxhi
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END FUNCTION f_lammps_extract_global_boxxhi
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FUNCTION f_lammps_extract_global_boxylo () BIND(C) RESULT(C_boxylo)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : C_double
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FUNCTION f_lammps_extract_global_boxylo() BIND(C) RESULT(C_boxylo)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_double
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USE keepstuff, ONLY : lmp
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USE LIBLAMMPS
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IMPLICIT NONE
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REAL (C_double) :: C_boxylo
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REAL (C_double), POINTER :: boxylo
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REAL(c_double) :: C_boxylo
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REAL(c_double), POINTER :: boxylo
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boxylo = lmp%extract_global("boxylo")
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C_boxylo = boxylo
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END FUNCTION f_lammps_extract_global_boxylo
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FUNCTION f_lammps_extract_global_boxyhi () BIND(C) RESULT(C_boxyhi)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : C_double
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FUNCTION f_lammps_extract_global_boxyhi() BIND(C) RESULT(C_boxyhi)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_double
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USE keepstuff, ONLY : lmp
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USE LIBLAMMPS
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IMPLICIT NONE
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REAL (C_double) :: C_boxyhi
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REAL (C_double), POINTER :: boxyhi
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REAL(c_double) :: C_boxyhi
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REAL(c_double), POINTER :: boxyhi
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boxyhi = lmp%extract_global("boxyhi")
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C_boxyhi = boxyhi
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END FUNCTION f_lammps_extract_global_boxyhi
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FUNCTION f_lammps_extract_global_boxzlo () BIND(C) RESULT(C_boxzlo)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : C_double
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FUNCTION f_lammps_extract_global_boxzlo() BIND(C) RESULT(C_boxzlo)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_double
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USE keepstuff, ONLY : lmp
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USE LIBLAMMPS
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IMPLICIT NONE
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REAL (C_double) :: C_boxzlo
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REAL (C_double), POINTER :: boxzlo
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REAL(c_double) :: C_boxzlo
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REAL(c_double), POINTER :: boxzlo
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boxzlo = lmp%extract_global("boxzlo")
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C_boxzlo = boxzlo
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END FUNCTION f_lammps_extract_global_boxzlo
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FUNCTION f_lammps_extract_global_boxzhi () BIND(C) RESULT(C_boxzhi)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : C_double
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FUNCTION f_lammps_extract_global_boxzhi() BIND(C) RESULT(C_boxzhi)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_double
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USE keepstuff, ONLY : lmp
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USE LIBLAMMPS
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IMPLICIT NONE
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REAL (C_double) :: C_boxzhi
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REAL (C_double), POINTER :: boxzhi
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REAL(c_double) :: C_boxzhi
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REAL(c_double), POINTER :: boxzhi
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boxzhi = lmp%extract_global("boxzhi")
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C_boxzhi = boxzhi
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END FUNCTION f_lammps_extract_global_boxzhi
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SUBROUTINE f_lammps_extract_global_periodicity (C_periodicity) BIND(C)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : C_int
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SUBROUTINE f_lammps_extract_global_periodicity(C_periodicity) BIND(C)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int
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USE keepstuff, ONLY : lmp
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USE LIBLAMMPS
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IMPLICIT NONE
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INTEGER (C_int), DIMENSION(3) :: C_periodicity
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INTEGER (C_int), DIMENSION(:), POINTER :: periodicity
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INTEGER(c_int), DIMENSION(3) :: C_periodicity
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INTEGER(c_int), DIMENSION(:), POINTER :: periodicity
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periodicity = lmp%extract_global("periodicity")
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C_periodicity = periodicity
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END SUBROUTINE f_lammps_extract_global_periodicity
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FUNCTION f_lammps_extract_global_triclinic () BIND(C)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : C_int
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FUNCTION f_lammps_extract_global_triclinic() BIND(C)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int
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USE keepstuff, ONLY : lmp
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USE LIBLAMMPS
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IMPLICIT NONE
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INTEGER (C_int), POINTER :: triclinic
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INTEGER (C_int) :: f_lammps_extract_global_triclinic
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INTEGER(c_int), POINTER :: triclinic
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INTEGER(c_int) :: f_lammps_extract_global_triclinic
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triclinic = lmp%extract_global("triclinic")
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f_lammps_extract_global_triclinic = triclinic
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END FUNCTION f_lammps_extract_global_triclinic
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FUNCTION f_lammps_extract_global_xy () BIND(C) RESULT(C_xy)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : C_double
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FUNCTION f_lammps_extract_global_xy() BIND(C) RESULT(C_xy)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_double
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USE keepstuff, ONLY : lmp
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USE LIBLAMMPS
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IMPLICIT NONE
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REAL (C_double) :: C_xy
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REAL (C_double), POINTER :: xy
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REAL(c_double) :: C_xy
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REAL(c_double), POINTER :: xy
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xy = lmp%extract_global("xy")
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C_xy = xy
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END FUNCTION f_lammps_extract_global_xy
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FUNCTION f_lammps_extract_global_xz () BIND(C) RESULT(C_xz)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : C_double
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FUNCTION f_lammps_extract_global_xz() BIND(C) RESULT(C_xz)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_double
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USE keepstuff, ONLY : lmp
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USE LIBLAMMPS
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IMPLICIT NONE
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REAL (C_double) :: C_xz
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REAL (C_double), POINTER :: xz
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REAL(c_double) :: C_xz
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REAL(c_double), POINTER :: xz
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xz = lmp%extract_global("xz")
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C_xz = xz
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END FUNCTION f_lammps_extract_global_xz
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FUNCTION f_lammps_extract_global_yz () BIND(C) RESULT(C_yz)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : C_double
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FUNCTION f_lammps_extract_global_yz() BIND(C) RESULT(C_yz)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_double
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USE keepstuff, ONLY : lmp
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USE LIBLAMMPS
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IMPLICIT NONE
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REAL (C_double) :: C_yz
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REAL (C_double), POINTER :: yz
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REAL(c_double) :: C_yz
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REAL(c_double), POINTER :: yz
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yz = lmp%extract_global("yz")
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C_yz = yz
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END FUNCTION f_lammps_extract_global_yz
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FUNCTION f_lammps_extract_global_natoms () BIND(C)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : C_int
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FUNCTION f_lammps_extract_global_natoms() BIND(C)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int
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USE keepstuff, ONLY : lmp
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USE LIBLAMMPS
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IMPLICIT NONE
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INTEGER (C_int), POINTER :: natoms
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INTEGER (C_int) :: f_lammps_extract_global_natoms
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INTEGER(c_int), POINTER :: natoms
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INTEGER(c_int) :: f_lammps_extract_global_natoms
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natoms = lmp%extract_global("natoms")
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f_lammps_extract_global_natoms = natoms
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END FUNCTION f_lammps_extract_global_natoms
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FUNCTION f_lammps_extract_global_natoms_big () BIND(C)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : C_int64_t
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FUNCTION f_lammps_extract_global_natoms_big() BIND(C)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int64_t
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USE keepstuff, ONLY : lmp
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USE LIBLAMMPS
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IMPLICIT NONE
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INTEGER (C_int64_t), POINTER :: natoms
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INTEGER (C_int64_t) :: f_lammps_extract_global_natoms_big
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INTEGER(c_int64_t), POINTER :: natoms
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INTEGER(c_int64_t) :: f_lammps_extract_global_natoms_big
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natoms = lmp%extract_global("natoms")
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f_lammps_extract_global_natoms_big = natoms
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END FUNCTION f_lammps_extract_global_natoms_big
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FUNCTION f_lammps_extract_global_nbonds () BIND(C)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : C_int
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FUNCTION f_lammps_extract_global_nbonds() BIND(C)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int
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USE keepstuff, ONLY : lmp
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USE LIBLAMMPS
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IMPLICIT NONE
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INTEGER (C_int), POINTER :: nbonds
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INTEGER (C_int) :: f_lammps_extract_global_nbonds
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INTEGER(c_int), POINTER :: nbonds
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INTEGER(c_int) :: f_lammps_extract_global_nbonds
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nbonds = lmp%extract_global("nbonds")
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f_lammps_extract_global_nbonds = nbonds
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END FUNCTION f_lammps_extract_global_nbonds
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FUNCTION f_lammps_extract_global_nbonds_big () BIND(C)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : C_int64_t
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FUNCTION f_lammps_extract_global_nbonds_big() BIND(C)
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USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int64_t
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USE keepstuff, ONLY : lmp
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USE LIBLAMMPS
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IMPLICIT NONE
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INTEGER (C_int64_t), POINTER :: nbonds
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INTEGER (C_int64_t) :: f_lammps_extract_global_nbonds_big
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INTEGER(c_int64_t), POINTER :: nbonds
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INTEGER(c_int64_t) :: f_lammps_extract_global_nbonds_big
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nbonds = lmp%extract_global("nbonds")
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f_lammps_extract_global_nbonds_big = nbonds
|
||||
END FUNCTION f_lammps_extract_global_nbonds_big
|
||||
|
||||
FUNCTION f_lammps_extract_global_nangles () BIND(C)
|
||||
USE, INTRINSIC :: ISO_C_BINDING, ONLY : C_int
|
||||
FUNCTION f_lammps_extract_global_nangles() BIND(C)
|
||||
USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int
|
||||
USE keepstuff, ONLY : lmp
|
||||
USE LIBLAMMPS
|
||||
IMPLICIT NONE
|
||||
INTEGER (C_int), POINTER :: nangles
|
||||
INTEGER (C_int) :: f_lammps_extract_global_nangles
|
||||
INTEGER(c_int), POINTER :: nangles
|
||||
INTEGER(c_int) :: f_lammps_extract_global_nangles
|
||||
|
||||
nangles = lmp%extract_global("nangles")
|
||||
f_lammps_extract_global_nangles = nangles
|
||||
END FUNCTION f_lammps_extract_global_nangles
|
||||
FUNCTION f_lammps_extract_global_nangles_big () BIND(C)
|
||||
USE, INTRINSIC :: ISO_C_BINDING, ONLY : C_int64_t
|
||||
|
||||
FUNCTION f_lammps_extract_global_nangles_big() BIND(C)
|
||||
USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int64_t
|
||||
USE keepstuff, ONLY : lmp
|
||||
USE LIBLAMMPS
|
||||
IMPLICIT NONE
|
||||
INTEGER (C_int64_t), POINTER :: nangles
|
||||
INTEGER (C_int64_t) :: f_lammps_extract_global_nangles_big
|
||||
INTEGER(c_int64_t), POINTER :: nangles
|
||||
INTEGER(c_int64_t) :: f_lammps_extract_global_nangles_big
|
||||
|
||||
nangles = lmp%extract_global("nangles")
|
||||
f_lammps_extract_global_nangles_big = nangles
|
||||
END FUNCTION f_lammps_extract_global_nangles_big
|
||||
|
||||
FUNCTION f_lammps_extract_global_ndihedrals () BIND(C)
|
||||
USE, INTRINSIC :: ISO_C_BINDING, ONLY : C_int
|
||||
FUNCTION f_lammps_extract_global_ndihedrals() BIND(C)
|
||||
USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int
|
||||
USE keepstuff, ONLY : lmp
|
||||
USE LIBLAMMPS
|
||||
IMPLICIT NONE
|
||||
INTEGER (C_int), POINTER :: ndihedrals
|
||||
INTEGER (C_int) :: f_lammps_extract_global_ndihedrals
|
||||
INTEGER(c_int), POINTER :: ndihedrals
|
||||
INTEGER(c_int) :: f_lammps_extract_global_ndihedrals
|
||||
|
||||
ndihedrals = lmp%extract_global("ndihedrals")
|
||||
f_lammps_extract_global_ndihedrals = ndihedrals
|
||||
END FUNCTION f_lammps_extract_global_ndihedrals
|
||||
FUNCTION f_lammps_extract_global_ndihedrals_big () BIND(C)
|
||||
USE, INTRINSIC :: ISO_C_BINDING, ONLY : C_int64_t
|
||||
|
||||
FUNCTION f_lammps_extract_global_ndihedrals_big() BIND(C)
|
||||
USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int64_t
|
||||
USE keepstuff, ONLY : lmp
|
||||
USE LIBLAMMPS
|
||||
IMPLICIT NONE
|
||||
INTEGER (C_int64_t), POINTER :: ndihedrals
|
||||
INTEGER (C_int64_t) :: f_lammps_extract_global_ndihedrals_big
|
||||
INTEGER(c_int64_t), POINTER :: ndihedrals
|
||||
INTEGER(c_int64_t) :: f_lammps_extract_global_ndihedrals_big
|
||||
|
||||
ndihedrals = lmp%extract_global("ndihedrals")
|
||||
f_lammps_extract_global_ndihedrals_big = ndihedrals
|
||||
END FUNCTION f_lammps_extract_global_ndihedrals_big
|
||||
|
||||
FUNCTION f_lammps_extract_global_nimpropers () BIND(C)
|
||||
USE, INTRINSIC :: ISO_C_BINDING, ONLY : C_int
|
||||
FUNCTION f_lammps_extract_global_nimpropers() BIND(C)
|
||||
USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int
|
||||
USE keepstuff, ONLY : lmp
|
||||
USE LIBLAMMPS
|
||||
IMPLICIT NONE
|
||||
INTEGER (C_int), POINTER :: nimpropers
|
||||
INTEGER (C_int) :: f_lammps_extract_global_nimpropers
|
||||
INTEGER(c_int), POINTER :: nimpropers
|
||||
INTEGER(c_int) :: f_lammps_extract_global_nimpropers
|
||||
|
||||
nimpropers = lmp%extract_global("nimpropers")
|
||||
f_lammps_extract_global_nimpropers = nimpropers
|
||||
END FUNCTION f_lammps_extract_global_nimpropers
|
||||
FUNCTION f_lammps_extract_global_nimpropers_big () BIND(C)
|
||||
USE, INTRINSIC :: ISO_C_BINDING, ONLY : C_int64_t
|
||||
|
||||
FUNCTION f_lammps_extract_global_nimpropers_big() BIND(C)
|
||||
USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int64_t
|
||||
USE keepstuff, ONLY : lmp
|
||||
USE LIBLAMMPS
|
||||
IMPLICIT NONE
|
||||
INTEGER (C_int64_t), POINTER :: nimpropers
|
||||
INTEGER (C_int64_t) :: f_lammps_extract_global_nimpropers_big
|
||||
INTEGER(c_int64_t), POINTER :: nimpropers
|
||||
INTEGER(c_int64_t) :: f_lammps_extract_global_nimpropers_big
|
||||
|
||||
nimpropers = lmp%extract_global("nimpropers")
|
||||
f_lammps_extract_global_nimpropers_big = nimpropers
|
||||
END FUNCTION f_lammps_extract_global_nimpropers_big
|
||||
|
||||
|
||||
FUNCTION f_lammps_extract_global_ntypes () BIND(C)
|
||||
USE, INTRINSIC :: ISO_C_BINDING, ONLY : C_int
|
||||
FUNCTION f_lammps_extract_global_ntypes() BIND(C)
|
||||
USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int
|
||||
USE keepstuff, ONLY : lmp
|
||||
USE LIBLAMMPS
|
||||
IMPLICIT NONE
|
||||
INTEGER (C_int), POINTER :: ntypes
|
||||
INTEGER (C_int) :: f_lammps_extract_global_ntypes
|
||||
INTEGER(c_int), POINTER :: ntypes
|
||||
INTEGER(c_int) :: f_lammps_extract_global_ntypes
|
||||
|
||||
ntypes = lmp%extract_global("ntypes")
|
||||
f_lammps_extract_global_ntypes = ntypes
|
||||
END FUNCTION f_lammps_extract_global_ntypes
|
||||
|
||||
FUNCTION f_lammps_extract_global_nlocal () BIND(C)
|
||||
USE, INTRINSIC :: ISO_C_BINDING, ONLY : C_int
|
||||
FUNCTION f_lammps_extract_global_nlocal() BIND(C)
|
||||
USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int
|
||||
USE keepstuff, ONLY : lmp
|
||||
USE LIBLAMMPS
|
||||
IMPLICIT NONE
|
||||
INTEGER (C_int), POINTER :: nlocal
|
||||
INTEGER (C_int) :: f_lammps_extract_global_nlocal
|
||||
INTEGER(c_int), POINTER :: nlocal
|
||||
INTEGER(c_int) :: f_lammps_extract_global_nlocal
|
||||
|
||||
nlocal = lmp%extract_global("nlocal")
|
||||
f_lammps_extract_global_nlocal = nlocal
|
||||
END FUNCTION f_lammps_extract_global_nlocal
|
||||
|
||||
FUNCTION f_lammps_extract_global_nghost () BIND(C)
|
||||
USE, INTRINSIC :: ISO_C_BINDING, ONLY : C_int
|
||||
FUNCTION f_lammps_extract_global_nghost() BIND(C)
|
||||
USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int
|
||||
USE keepstuff, ONLY : lmp
|
||||
USE LIBLAMMPS
|
||||
IMPLICIT NONE
|
||||
INTEGER (C_int), POINTER :: nghost
|
||||
INTEGER (C_int) :: f_lammps_extract_global_nghost
|
||||
INTEGER(c_int), POINTER :: nghost
|
||||
INTEGER(c_int) :: f_lammps_extract_global_nghost
|
||||
|
||||
nghost = lmp%extract_global("nghost")
|
||||
f_lammps_extract_global_nghost = nghost
|
||||
END FUNCTION f_lammps_extract_global_nghost
|
||||
|
||||
FUNCTION f_lammps_extract_global_nmax () BIND(C)
|
||||
USE, INTRINSIC :: ISO_C_BINDING, ONLY : C_int
|
||||
FUNCTION f_lammps_extract_global_nmax() BIND(C)
|
||||
USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int
|
||||
USE keepstuff, ONLY : lmp
|
||||
USE LIBLAMMPS
|
||||
IMPLICIT NONE
|
||||
INTEGER (C_int), POINTER :: nmax
|
||||
INTEGER (C_int) :: f_lammps_extract_global_nmax
|
||||
INTEGER(c_int), POINTER :: nmax
|
||||
INTEGER(c_int) :: f_lammps_extract_global_nmax
|
||||
|
||||
nmax = lmp%extract_global("nmax")
|
||||
f_lammps_extract_global_nmax = nmax
|
||||
END FUNCTION f_lammps_extract_global_nmax
|
||||
|
||||
FUNCTION f_lammps_extract_global_boltz () BIND(C) RESULT(C_k_B)
|
||||
USE, INTRINSIC :: ISO_C_BINDING, ONLY : C_double
|
||||
FUNCTION f_lammps_extract_global_boltz() BIND(C) RESULT(C_k_B)
|
||||
USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_double
|
||||
USE keepstuff, ONLY : lmp
|
||||
USE LIBLAMMPS
|
||||
IMPLICIT NONE
|
||||
REAL (C_double) :: C_k_B
|
||||
REAL (C_double), POINTER :: k_B
|
||||
REAL(c_double) :: C_k_B
|
||||
REAL(c_double), POINTER :: k_B
|
||||
|
||||
k_B = lmp%extract_global("boltz")
|
||||
C_k_B = k_B
|
||||
END FUNCTION f_lammps_extract_global_boltz
|
||||
|
||||
FUNCTION f_lammps_extract_global_hplanck () BIND(C) RESULT(C_h)
|
||||
USE, INTRINSIC :: ISO_C_BINDING, ONLY : C_double
|
||||
FUNCTION f_lammps_extract_global_hplanck() BIND(C) RESULT(C_h)
|
||||
USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_double
|
||||
USE keepstuff, ONLY : lmp
|
||||
USE LIBLAMMPS
|
||||
IMPLICIT NONE
|
||||
REAL (C_double) :: C_h
|
||||
REAL (C_double), POINTER :: h
|
||||
REAL(c_double) :: C_h
|
||||
REAL(c_double), POINTER :: h
|
||||
|
||||
h = lmp%extract_global("boltz")
|
||||
C_h = h
|
||||
END FUNCTION f_lammps_extract_global_hplanck
|
||||
|
||||
FUNCTION f_lammps_extract_global_angstrom () BIND(C) RESULT(Angstrom)
|
||||
USE, INTRINSIC :: ISO_C_BINDING, ONLY : C_double
|
||||
FUNCTION f_lammps_extract_global_angstrom() BIND(C) RESULT(Angstrom)
|
||||
USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_double
|
||||
USE keepstuff, ONLY : lmp
|
||||
USE LIBLAMMPS
|
||||
IMPLICIT NONE
|
||||
REAL (C_double) :: Angstrom
|
||||
REAL (C_double), POINTER :: A
|
||||
REAL(c_double) :: Angstrom
|
||||
REAL(c_double), POINTER :: A
|
||||
|
||||
A = lmp%extract_global("angstrom")
|
||||
Angstrom = A
|
||||
END FUNCTION f_lammps_extract_global_angstrom
|
||||
|
||||
FUNCTION f_lammps_extract_global_femtosecond () BIND(C) RESULT(fs)
|
||||
USE, INTRINSIC :: ISO_C_BINDING, ONLY : C_double
|
||||
FUNCTION f_lammps_extract_global_femtosecond() BIND(C) RESULT(fs)
|
||||
USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_double
|
||||
USE keepstuff, ONLY : lmp
|
||||
USE LIBLAMMPS
|
||||
IMPLICIT NONE
|
||||
REAL (C_double) :: fs
|
||||
REAL (C_double), POINTER :: femtosecond
|
||||
REAL(c_double) :: fs
|
||||
REAL(c_double), POINTER :: femtosecond
|
||||
|
||||
femtosecond = lmp%extract_global("femtosecond")
|
||||
fs = femtosecond
|
||||
|
||||
Reference in New Issue
Block a user