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consolidate fortran test keeper modules into a single module

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This commit is contained in:
Axel Kohlmeyer
2022-09-29 09:47:40 -04:00
parent 77fb3e8af8
commit c068c226cc
7 changed files with 89 additions and 103 deletions
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22
unittest/fortran/test_fortran_box.f90
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@ -1,7 +1,7 @@
FUNCTION f_lammps_with_args() BIND(C, name="f_lammps_with_args")
USE ISO_C_BINDING, ONLY: c_ptr
USE liblammps
USE keepcmds, ONLY: lmp
USE keepstuff, ONLY: lmp
IMPLICIT NONE
TYPE(c_ptr) :: f_lammps_with_args
@ -16,7 +16,7 @@ END FUNCTION f_lammps_with_args
SUBROUTINE f_lammps_close() BIND(C, name="f_lammps_close")
USE ISO_C_BINDING, ONLY: c_null_ptr
USE liblammps
USE keepcmds, ONLY: lmp
USE keepstuff, ONLY: lmp
IMPLICIT NONE
CALL lmp%close()
@ -25,7 +25,7 @@ END SUBROUTINE f_lammps_close
SUBROUTINE f_lammps_box_setup () BIND(C)
USE liblammps
USE keepcmds, ONLY : lmp, demo_input
USE keepstuff, ONLY : lmp, demo_input
IMPLICIT NONE
CALL lmp%commands_list(demo_input)
@ -33,7 +33,7 @@ END SUBROUTINE f_lammps_box_setup
SUBROUTINE f_lammps_delete_everything() BIND(C)
USE liblammps
USE keepcmds, ONLY : lmp
USE keepstuff, ONLY : lmp
IMPLICIT NONE
CALL lmp%command("delete_atoms group all");
@ -42,7 +42,7 @@ END SUBROUTINE f_lammps_delete_everything
FUNCTION f_lammps_extract_box_xlo () BIND(C)
USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_double
USE liblammps
USE keepcmds, ONLY : lmp
USE keepstuff, ONLY : lmp
IMPLICIT NONE
REAL (c_double) :: f_lammps_extract_box_xlo
REAL (c_double) :: boxdim(3)
@ -54,7 +54,7 @@ END FUNCTION f_lammps_extract_box_xlo
FUNCTION f_lammps_extract_box_xhi () BIND(C)
USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_double
USE liblammps
USE keepcmds, ONLY : lmp
USE keepstuff, ONLY : lmp
IMPLICIT NONE
REAL (c_double) :: f_lammps_extract_box_xhi
REAL (c_double) :: boxdim(3)
@ -66,7 +66,7 @@ END FUNCTION f_lammps_extract_box_xhi
FUNCTION f_lammps_extract_box_ylo () BIND(C)
USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_double
USE liblammps
USE keepcmds, ONLY : lmp
USE keepstuff, ONLY : lmp
IMPLICIT NONE
REAL (c_double) :: f_lammps_extract_box_ylo
REAL (c_double) :: boxdim(3)
@ -78,7 +78,7 @@ END FUNCTION f_lammps_extract_box_ylo
FUNCTION f_lammps_extract_box_yhi () BIND(C)
USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_double
USE liblammps
USE keepcmds, ONLY : lmp
USE keepstuff, ONLY : lmp
IMPLICIT NONE
REAL (c_double) :: f_lammps_extract_box_yhi
REAL (c_double) :: boxdim(3)
@ -90,7 +90,7 @@ END FUNCTION f_lammps_extract_box_yhi
FUNCTION f_lammps_extract_box_zlo () BIND(C)
USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_double
USE liblammps
USE keepcmds, ONLY : lmp
USE keepstuff, ONLY : lmp
IMPLICIT NONE
REAL (c_double) :: f_lammps_extract_box_zlo
REAL (c_double) :: boxdim(3)
@ -102,7 +102,7 @@ END FUNCTION f_lammps_extract_box_zlo
FUNCTION f_lammps_extract_box_zhi () BIND(C)
USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_double
USE liblammps
USE keepcmds, ONLY : lmp
USE keepstuff, ONLY : lmp
IMPLICIT NONE
REAL (c_double) :: f_lammps_extract_box_zhi
REAL (c_double) :: boxdim(3)
@ -114,7 +114,7 @@ END FUNCTION f_lammps_extract_box_zhi
SUBROUTINE f_lammps_reset_box_2x () BIND(C)
USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_double
USE liblammps
USE keepcmds, ONLY : lmp
USE keepstuff, ONLY : lmp
IMPLICIT NONE
REAL (c_double) :: newlo(3), newhi(3), xy, yz, xz