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7:33:48
drmeister
I think that will be a lot of work - but I'd love to use it if it's better than jupyter.
7:34:36
drmeister
It used to be all strings. Now the identity shows the default identity provided by zeromq and the rest are strings.
7:35:10
drmeister
As I mentioned in #lisp - it should probably all be (array (unsigned-byte 8)) and wire-deserialize should convert the message parts to strings.
7:37:39
drmeister
But GRRRRRR - the message is being dropped by zeromq - it's not showing up in the jupyter middle-ware's log.
12:51:48
drmeister
I'm pretty sure I've figured out how jupyter and zeromq interact - but a crucial message is still being dropped.
13:30:23
Kevslinger
Any umbrella I've tried to use around Temple's campus has been demolished by the wind tunnels
14:03:44
drmeister
If not - can we calculate charges using whatever interface you have using carbon?
14:06:00
drmeister
There is a weird ass corner case with zeromq in the first messages that is causing a very important response from cl-jupyter to be dropped. It's driving me crazy.
14:06:33
shiho
Mopac doesn't work yet. I tried to build but it didn't work. We can calculate charge using carbon.
15:57:08
drmeister
I fixed the problem with total bond order that was screwing up Liz’s attempts. Can you pull Cando and rebuild Cando and we will try it within emacs.
19:28:02
drmeister
Shiho - as a sanity check can you run this... (let ((total-charge 0.0)) (chem:map-atoms 'nil (lambda (a) (incf total-charge (chem:get-charge a))) *agg-g*) total-charge)
19:33:33
shiho
I got the error when I created the topology file. There is a problem with atom ATOM(:OH[residue(:NIL)@0x119dfa688]bonds[2]) the sum of bond orders is: 4 and it should never be more than 3