FORMAT option in TABLE, ignored specifiers

[Alexandre Voute]

Dear Molpro developers,

I must be doing something wrong with the FORMAT option in the TABLE program.

Every time I use this option, the program never recognizes it and uses the default.

In the attached minimal (non-)working example, I first write the following:

r = [1,2,3,4,5, 10, 100, 1000]
x = log(r)
y = exp(-r)
i = [1,2,3,4,5,6,7,8]

table, i, r, x, y

None of these lines, placed below the table call, seem to work:

format, '(I, F16.8, F16.8, E16.8)'

format, '(F3.0, F16.8, F16.8, E16.8)'
format, 'I', 'F16.8', 'F16.8', 'E16.8'
format, 'I, F16.8, F16.8, E16.8'

format, "(I, F16.8, F16.8, E16.8)"
format, "(F3.0, F16.8, F16.8, E16.8)"

format, "F3.0, F16.8, F16.8, E16.8"

format, "I", "F16.8", "F16.8", "E16.8"
format, "I, F16.8, F16.8, E16.8"

Where I am mistaken?

Best regards,

Alexandre Voute

[andreas...@gmail.com]

Dear Alexandre,

it seems that using the integers format specifier is not possible for Molpro tables. So the closest you can

get to 'I' is to use something like 'f3.0' like in one of your examples. You have to give the formats

without any quotation marks and enclose them in round brackets, like:

table, i, r, x, y

format,(f4.0, F16.8, F16.8, E16.8)

Best wishes,

Andreas

[Alexandre Voute]

Dear Andreas,
Thank you very much again for your help.

I suggest the manual should then be updated with your answer, as it says (8 nov. 2022) to use quotes instead of parentheses.

Best regards,

Alexandre