2021-03-22 16:40:45 +01:00
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program test_trexio
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use trexio
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implicit none
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type(c_ptr) :: file1
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integer :: rc
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2021-03-23 16:34:13 +01:00
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integer (c_int64_t) :: num
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type(c_ptr) :: num_test
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integer, pointer :: num_read
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integer, target :: num666
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2021-03-22 16:40:45 +01:00
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2021-03-23 18:12:53 +01:00
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real, dimension(12), target :: charge
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real, dimension(36) :: coord
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type(c_ptr) :: charge_ptr
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real(c_double), pointer :: charge_cp(:)
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num = 12
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charge = (/6., 6., 6., 6., 6., 6., 1., 1., 1., 1., 1., 1. /)
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allocate(charge_cp(size(charge)))
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charge_cp = charge
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charge_ptr = c_loc(charge_cp)
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coord = (/ 0.00000000 , 1.39250319 , 0.00000000 , &
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-1.20594314 , 0.69625160 , 0.00000000 , &
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-1.20594314 , -0.69625160 , 0.00000000 , &
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0.00000000 , -1.39250319 , 0.00000000 , &
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1.20594314 , -0.69625160 , 0.00000000 , &
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1.20594314 , 0.69625160 , 0.00000000 , &
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-2.14171677 , 1.23652075 , 0.00000000 , &
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-2.14171677 , -1.23652075 , 0.00000000 , &
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0.00000000 , -2.47304151 , 0.00000000 , &
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2.14171677 , -1.23652075 , 0.00000000 , &
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2.14171677 , 1.23652075 , 0.00000000 , &
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0.00000000 , 2.47304151 , 0.00000000 /)
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2021-03-22 16:40:45 +01:00
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rc = 0
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2021-03-23 16:34:13 +01:00
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num_test = c_loc(num666)
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2021-03-23 14:57:11 +01:00
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file1 = trexio_open('trexio_test' // c_null_char, 'w', 1)
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2021-03-22 16:40:45 +01:00
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! file1 = trexio_open('test_fort.h5' // c_null_char, 'w', 0)
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rc = trexio_write_nucleus_num(file1, num)
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2021-03-23 18:12:53 +01:00
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if (rc == 0) write(*,*) 'SUCCESS WRITE NUM'
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rc = trexio_write_nucleus_charge(file1, charge_ptr)
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if (rc == 0) write(*,*) 'SUCCESS WRITE CHARGE'
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2021-03-23 16:34:13 +01:00
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rc = trexio_read_nucleus_num(file1, num_test)
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call c_f_pointer(num_test, num_read)
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if (rc == 0 .and. num_read == num) write(*,*) 'SUCCESS READ'
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2021-03-22 16:40:45 +01:00
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rc = trexio_close(file1)
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2021-03-23 16:34:13 +01:00
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if (rc == 0) write(*,*) 'SUCCESS CLOSE'
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2021-03-22 16:40:45 +01:00
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2021-03-23 18:12:53 +01:00
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deallocate(charge_cp)
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2021-03-22 16:40:45 +01:00
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end program test_trexio
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