IRC reverse or forward?

[isaksengeir]

IRC in calculation setup

Problem

When selecting Job type = IRC I should probably be presented with an option to select reverse,forward or both ? The direction seems to default to reverse in the input file.

Suggested solution

Add radiobuttons to select reverse,forward or both direction.

Who ?

If the team agrees, @isaksengeir can implement the widgets and @benteb connect it in the backend ?

[isaksengeir]

Problem II

There are now way for me to change IRC=reverse to forward using Calculation setup. This have to be modified directly in the fil. Raising this issue to critical. @benteb

[benteb]

@isaksengeir Not sure what the critical problem is. When using IRC, you get two files, one with forward and one with reverse. You can switch between files using the dropdown box in top right corner. And when you click write, REACT produces two files, one with forward and one with reverse.

[benteb]

So, right now, 'both' is the default option.

[isaksengeir]

@isaksengeir Not sure what the critical problem is. When using IRC, you get two files, one with forward and one with reverse. You can switch between files using the dropdown box in top right corner. And when you click write, REACT produces two files, one with forward and one with reverse.

@benteb aha, that was completely intelligible to me when using it. But now that I am aware that this is how it works; fine :) This is then not critical.

So, right now, 'both' is the default option.

not really, forward AND reverse is the default. With both, which is the default in Gaussian by not including forward/reverse, Gaussian does both direction in the same calculation. We never use that one, but anyway.

Degrading this to just another issue :)