The Periodic Table

« first day (2231 days earlier) ← previous day next day → last day (2455 days later) »

hBy2Py

05:02

@Martin-マーチン Done

A: How to determine the angle between non-bonding electron pairs?

Yes, there are ways one could claim to calculate an angle between two non-bonding electron pairs. BUT: As Mithoron points out, this Chem.SE question illustrates how quantum chemical calculations and photoelectron spectroscopy both demonstrate the non-equivalence of the lone pairs of $\ce{H2O}$,...

2 hours later…

Loong

07:12

@Zhe Why do you think so? chemistry.stackexchange.com/users/7008/…

1 hour later…

paracetamol

08:35

@AvnishKabaj #MeToo? Darn... you have my condolences ;-)

pH13 - Yet another Philipp

09:34

@hBy2Py orca 3.0.3 and multiwfn 3.3.7 – never update a running system :D

2 hours later…

hBy2Py

11:43

@pH13-YetanotherPhilipp Darn straight.

At least on Windows (serial for ORCA) version-swapping both of them is as easy as renaming a couple of directories

The runorca script on my Linux box is a tad more complex... has to export the right OMPI to PATH and LD_LIBRARY_PATH.

I have a very long-running series of calculations that's still platformed on v3.0.3 and a v4.0b pre-release, for consistency.

Other than that, I'm all set up to use 4.0.1.2 and later for new calculations... am ready to switch!

Zhe

12:00

@Loong Weird, that was definitely not there when I last looked... :(

I'm guessing I screwed up in some way

2 hours later…

pH13 - Yet another Philipp

13:46

@hBy2Py interesting

hBy2Py

14:13

@M.A.R.ಠ_ಠ Magnetic, or magnetical? Optic, or optical? Electric, or electrical? Dynamic, or dynamical?

@pH13-YetanotherPhilipp Remember: 8 cores, one node.

<--- Tortoise

Martin - マーチン

@hBy2Py A lot of quality research has been done with less ;)

hBy2Py

Indeed.

It's a good thing I don't have to publish this in time for a tenure review, though.

Dunno if it would make it. :-)

(Or if it would make a very good tenure case...)

pH13 - Yet another Philipp

14:30

@hBy2Py our old cluster has many 8- and 12-cores, many calculations were done and are being done on them :) my master thesis was done on such nodes :D however, I never looked back, since the new cluster is available

2 hours later…

JavaScriptCoder

16:55

Hi everyone! Haven't been doing the rounds on SE for a bit, how's life so far?

hBy2Py

17:05

@JavaScriptCoder Not too bad. Site seems pretty quiet lately.

Wrote my first long answer in a while.

Don't forget to move.

Almost out of time.

JavaScriptCoder

oh yea

@hBy2Py yeah, mainly im on worldbuilding and SX if im on SE at all

Hexacoordinate-C

17:47

@M.A.R.ಠ_ಠ It was not the point of my question.

3 hours later…

orthocresol

20:22

@hBy2Py I just finished it today, actually. :)

pentavalentcarbon

20:38

@hBy2Py Your nickname should be Elf.

hBy2Py

@orthocresol +1e9!

Congrats! Huge relief?

@pentavalentcarbon Hmmm...... maybe so.

What would my avatar be, though?

pentavalentcarbon

(Not an endorsement of that movie, which I haven't seen and have no desire to)

hBy2Py

Haha, too obscure, though. He'd have to be wearing an isosurface plot as a hat or something.

As re the movie, I understand why people like it, and I'm fine to watch it when everybody else does.

But I definitely am not as crazy a fan of it as many are.

pentavalentcarbon

I don't think he's very funny. Not my brand of humor, at least.

hBy2Py

I usually either really like his roles, or really can't stand them.

Shoot, what was that one..

With the author writing his actual life.

It was a weird kinda downer at the end, but I thought it was really well done, written and acted.

Stranger than Fiction, I think?

pentavalentcarbon

20:47

I'm looking at his filmography and I haven't seen most of these. I liked Wedding Crashers but not his character. I think I liked Land of the Lost.

I saw the cowbell skit way too many times...

hBy2Py

hehehe

He's a pretty skilled actor, I think.

pentavalentcarbon

I agree. I guess I just find his characters irritating, not his actual acting skill.

hBy2Py

Will definitely give you that. :-)

pentavalentcarbon

Btw I like your answer. Now I have to read why the lone pairs are not equivalent.

hBy2Py

I'd strongly recommend watching Stranger than Fiction

pentavalentcarbon

20:51

Ok, I'll add that to my list...

hBy2Py

Not often I can make a movie recommendation -- hardly watch anything anymore.

pentavalentcarbon

I'm going to see Solo...tomorrow night.

hBy2Py

@pentavalentcarbon Thanks -- I don't really know how widely accepted the QTAIM/ELF analysis really is, but it so often ties in quite neatly with qualitative paradigms of chemical understanding.

Oy, I'm several movies behind in all the Star Wars stuff

Haven't seen anything since EIII

pentavalentcarbon

hBy2Py

Kids, man

pentavalentcarbon

20:53

None of them are exactly works of art but they're all fun, IMO.

hBy2Py

I expect to enjoy them, at whatever point. Far more than I-III, at the bare minimum.

pentavalentcarbon

I like them all, even I-III. Contrary to popular opinion when I watched IV a year or two ago, I don't think it's aged well.

hBy2Py

IV-VI were filmed in an era of radically different expectations of film

Sort of like a bunch of the classic SF literature, actually

The older stuff can be kind of hard to read.

pentavalentcarbon

How old? I'm starting to read again. I don't know if I want to reread Foundation, but I might just because they're so short.

hBy2Py

Mm, well, depends

The first half of Foundation (the series) was great

Then it tailed off into weird.

pentavalentcarbon

20:56

Are there more than 3? Because that's all I own.

hBy2Py

At least six

pentavalentcarbon

Urghhhhhh

hBy2Py

Plus a prequel, IIRC

Same spiral-off happened with Dune, at least as interpreted by my high school self

I haven't read any Clarke, Heinlein, etc. Really should.

pentavalentcarbon

I've never read Clarke or Heinlein. I have the first Dune book but never read that either.

hBy2Py

Highly recommend the original Dune.

I think it was by book 3 or so that the series lost its way.

pentavalentcarbon

20:59

I'll definitely get to it. I've heard the later ones are bad.

I also heard the later Orson Scott Card books are bad, but I'm not sure I even liked Ender's Game all that much.

But I read that in middle school so it's been a while.

hBy2Py

I only really liked Ender's Game

Everything after that was just ... slog.

As I remember it, anyways

pentavalentcarbon

I know that feeling, life is too short for that

hBy2Py

OTOH, there was a trilogy... ~origin story of Mazer Rackham, and the first time the Formics came to Sol... that was really good.

pentavalentcarbon

As soon as I read somewhere (the very obvious) "you can only read a finite number of books in your lifetime" I recycled half my unread trade paperbacks

hBy2Py

These ones:

thesffblog.com/2014/07/…

I borrowed audiobooks from the library -- they worked quite well in that format.

pentavalentcarbon

21:03

Neat, thanks.

I've been avoiding audiobooks. Whenever I'm listening to something (music, podcasts) I always need to be doing something else with my hands or eyes, and I'm years behind on podcasts.

hBy2Py

<nod>, similar here

Also, I find that if I'm going to be listening for long enough in a row, audiobooks start to overwhelm my ability to absorb the story.

The segmented nature of podcasts works way better for my listening.

Gotta run, but I'll leave you with this:

Do you feel as though you should finish any book you start? I used to, but I changed reading philosophy. Here’s what I read this week. I also started and abandoned four books that I decided not to finish. #GretchenRubinReads