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mirror of https://github.com/TREX-CoE/trexio.git synced 2024-08-24 22:21:43 +02:00

Fixing too modern fortran test

This commit is contained in:
Anthony Scemama 2023-05-22 12:10:20 +02:00
parent b51896e885
commit e6b9ee62ad

View File

@ -131,7 +131,19 @@ subroutine test_write(file_name, back_end)
basis_shell_num = 24
basis_nucleus_index = (/ 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24 /)
label = [character(len=8) :: 'C', 'Na','C', 'C 66', 'C','C', 'H 99', 'Ru', 'H', 'H', 'H', 'H' ]
allocate(character(len=8) :: label(12))
label(1) = 'C'
label(2) = 'Na'
label(3) = 'C'
label(4) = 'C 66'
label(5) = 'C'
label(6) = 'C'
label(7) = 'H 99'
label(8) = 'Ru'
label(9) = 'H'
label(10)= 'H'
label(11)= 'H'
label(12)= 'H'
sym_str = 'B3U with some comments'