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3:00 AM
@Brian So averaging over rotational energy levels?
 
3:22 AM
No, actually optimizing the geometry under the effect of rotation at a specific angular momentum about a specific axis
Updating the inertial matrix at each step and adjusting things accordingly.
Ideally I'd work out the derivation for the centrifugal-affected Hessian to allow for analytical frequency calculations at the distorted geometries.
@pentavalentcarbon I have no idea if this would be practically useful, but I'm interested to play with it and see if it can replicate actual spectroscopic trends.
It'd be a generalization of this:
 
 
4 hours later…
user116211
7:06 AM
$$\ce{ 2KClO_3= 2KCl + 3O_2}$$
 
user116211
$$ 3 \times \textrm{moles of}\, \ce{KClO_3}= 2 \times \textrm{moles of}\, \ce{O_2}$$ - how does my book conclude this relation?
 
user116211
I bore in my mind till now:
 
user116211
$$ 2 \times \textrm{moles of}\, \ce{KClO_3}\equiv 3 \times \textrm{moles of}\, \ce{O_2}$$
 
user116211
7:25 AM
I know the above is correct (when you apply POAC); and so is the later, isn't it?
 
user116211
The later's interpretation would be 2 moles of $\ce{KClO_3}$ gives 3 moles of $\ce{O_2}$ but both can't be correct as it would give $3/2 = 2/3$ :( Damn
 
user116211
!!!gun
 
9:58 AM
Did anyone happen to miss me?
@ToddMinehardt \o/
 
@IͶΔ Who are you?
 
@Loong Interesting question.
Also
Commits suicide
 
@IͶΔ oô
 
@pH13 I can't respond, I'm dead™.
 
ok, sorry to respawn you
 
10:09 AM
@pH13 He’s dead, Jim.
 
@pH13 <grump>
 
echo
 
ohce
!!flip/@pH13
 
10:14 AM
( つ•̀ω•́)つ@dɥІƐ
 
Dee Mu eye epsilon
 
 
BRB changing username and avatar
 
10:33 AM
@IͶΔ ._.
 
!!flip
 
┬──┬ ︵(╯。□。)╯
 
OK not this one
!!flip
 
(ノ ̄皿 ̄)ノ ⌒=== ┫
 
Not this one either
!!flip
 
10:35 AM
(ノ-o-)ノ┸┸)`3゜)・;’.
 
Dang it
 
Haha :D
!!flip
 
༼ ͠ຈ ͟ل͜ ͠ຈ༽ง︵┻━┻
 
11:05 AM
test 💀
 
That's a very mad-scientisty test.
 
11:44 AM
 
user116211
12:05 PM
@PhMgBr: Who are you???????
 
user116211
!!greet/@PhMgBr
 
Welcome to The Periodic Table @PhMgBr! Here are our chat guidelines and it's recommended that you read them. If you want to turn Mathjax on, make a bookmark of the link in this answer. Happy chatting!
 
user116211
WTF! Damn!!
 
user116211
I thought @IͶΔ were dead ;(
 
user116211
Welcome to the Table again ;D
 
12:18 PM
user image
8
@ToddMinehardt \o/
 
@Loong FedEx?
with color checker ... fancy
 
@pH13 yes FedEx, but finally delivered by a contractor.
 
You
Hello
 
hiho
 
@You oh, it's @You
 
You
12:21 PM
Hi.
 
user116211
12:32 PM
@You o/
 
user116211
@Loong Awesome one; I knew it you are not a human of flesh and blood.
 
You
@MAFIA36790 I'm back. MUAHAHAHA!!! :P
 
user116211
@You recalls the Peace Treaty
 
You
@MAFIA36790 Oh, right.
 
user116211
;)
 
You
1:31 PM
Goodbye.
 
user116211
It's the season of avatar-changing @pH13-YetanotherPhilipp.
 
@MAFIA36790 I'm too old to change as fast as @PhMgBr ;)
 
user116211
1:50 PM
@pH13-YetanotherPhilipp RIP IͶΔ
 
user116211
> I'll be a random chemical from now on.
 
user116211
So, we can expect more names from him.
 
user116211
2:05 PM
Damn, just earthquake hit my place!!
 
2:21 PM
@Brian regarding your answer on openmpi in the orca-forum - it's not that easy to get openmpi 1.6.5 on every cluster. our cluster runs with 1.8.1 and the admin refuses to change it just for me and orca ;)
 
2:41 PM
@pH13-YetanotherPhilipp Oh, I realize that. Often it's the only fix, though. OMPI v1.8 just really doesn't play nice with ORCA v3.
 
maybe my newest problems arises from this fact. .. dunno :D
but so far I had no problems with it
 
Huh. Might be hardware and/or software-dependent, then.
But it seems like any time OMPI 1.8 doesn't play nice, it's nigh-on impossible to make it work.
 
not nice from openmpi ...
!!flip/openmpi
 
(∿°○°)∿odǝuɯdᴉ
 
Even worse is them not providing Windows installers any more, past v1.6.2
!!flip/Windows OpenMPI
 
2:50 PM
(づಥਊಥ)づ︵ʍᴉupoʍs odǝuɯdᴉ
 
indeed
this is worth a !!doubleflip/windows openmpi
 
ᴉdɯuǝdo sʍopuᴉʍ╰(゚x゚​)╯ʍᴉupoʍs odǝuɯdᴉ
 
Heh.
!!doubleflip/What the heck, guys, is it that big a deal to just compile the thing?!
 
¡¿ƃuᴉɥʇ ǝɥʇ ǝꞁᴉdɯoɔ ʇsnɾ oʇ ꞁɐǝp ɐ ƃᴉq ʇɐɥʇ ʇᴉ sᴉ 'sʎnƃ 'ʞɔǝɥ ǝɥʇ ʇɐɥʍ︵╰(゜Д゜)╯︵ʍɥɐʇ ʇɥǝ ɥǝɔʞ' ƃnʎs' ᴉs ᴉʇ ʇɥɐʇ qᴉƃ ɐ pǝɐꞁ ʇo ɾnsʇ ɔoɯdᴉꞁǝ ʇɥǝ ʇɥᴉuƃ¿¡
 
this should be part of a complaint mail
 
2:54 PM
It's sort of like MultiWFN depending on OpenMotif. Massive pain to install on anything other than Windows.
!!doubleflip/GAAAAH, THE OPENMOTIF!!
 
¡¡ɟᴉʇoɯuǝdo ǝɥʇ 'ɥɐɐɐɐƃ╰(゚x゚​)╯ƃɐɐɐɐɥ' ʇɥǝ odǝuɯoʇᴉɟ¡¡
 
openmotif is need for the gui?
 
<nod>
But it's coded so that it won't even run unless OpenMotif is available.
And a GDE is found.
 
my pc at office cannot use the multiwfn-gui ^^ I need to find a way to compile the gui-less new version without sudo ...
 
So, even if I don't want to output any graphics, I can't use it (viz., run automated analyses with it) ..... g'nnh.
GUI-less version?! I missed that in the release notes!
 
2:58 PM
in the new 3.3.9(dev)
 
Woot! !!gun
 
!! ヘ(ToTヘ))) ・ —  ε¬(▼▼メ)凸
 
Gaah, it wants the Intel FORTRAN compiler, only!
<tantrum>
 
You
Hello
I need to make up my mind on staying here or not lol.
!!gun
 
(▀̿̿Ĺ̯̿̿▀̿ ̿)•︻̷̿┻̿┻═━━ヽ༼ຈ益ຈ༽ノ
 
@Brian you could write Tian Lu to ask for other possibilities
 
You
!!tea
 
You
Sips tea. I hope nobody poisoned it today. :)
 
@pH13-YetanotherPhilipp It looks like Intel does offer a free license for OSS contributors, which is what I would primarily be using it for.
(Developing a MultiWFN driver-wrapper, as yet another project in the future pipeline.)
 
3:12 PM
@hippa CHemoboto
 
@You ( ͡° ͜ʖ ͡°)
 
You
ᕦ܍ᴥ܍ᕥ
 
!!wiki/tea
 
Bromine (from Ancient Greek: βρῶμος, brómos, meaning "stench") is a chemical element with symbol Br and atomic number 35. It is a halogen. The element was isolated independently by two chemists, Carl Jacob Löwig (in 1825) and Antoine Jérôme Balard (in 1826). Elemental bromine is a fuming red-brown liquid at room temperature, corrosive and toxic, with properties between those of chlorine and iodine. Free bromine does not occur in nature, but occurs as colorless soluble crystalline mineral halide salts, analogous to table salt. Bromine is rarer than about three-quarters of elements in the Earth's...
 
You
@Hippalectryon Oh, please.
!!wiki/coffee
 
3:18 PM
Bromine (from Ancient Greek: βρῶμος, brómos, meaning "stench") is a chemical element with symbol Br and atomic number 35. It is a halogen. The element was isolated independently by two chemists, Carl Jacob Löwig (in 1825) and Antoine Jérôme Balard (in 1826). Elemental bromine is a fuming red-brown liquid at room temperature, corrosive and toxic, with properties between those of chlorine and iodine. Free bromine does not occur in nature, but occurs as colorless soluble crystalline mineral halide salts, analogous to table salt. Bromine is rarer than about three-quarters of elements in the Earth's...
 
You
(Well, I'll do something. :)
 
 
1 hour later…
4:21 PM
@pH13-YetanotherPhilipp if I've answered your question, please accept it
 
@pentavalentcarbon Thank you, I am aware of this.
I simply don't like to accept answers without veryfying them for myself. As I have no time for this, I am not able to accept it. There are also other answered questions from me, that wait to be accepted.
 
4:47 PM
:( Where is my swag?
@MAFIA36790 WTH
@pH13 nice! You have grown up!
 
veryfying ... damn ... should have verified this word
@PhMgBr because of this comment or because of my nick/avatar-change?
 
@pH13-YetanotherPhilipp I'll leave you to guess.
 
ʕ ⊃・ ◡ ・ ʔ⊃︵┻━┻
 
whazzup, @PhMgBr ?
 
4:54 PM
A table flip by a cute being
Whazzup, @pH13?
 
today my friends told me that I was too late for lunch ... I answered that I also have a virtual life ;D
 
+1
Also I lost my consecutive count. !!flip
 
5:12 PM
!!flip
 
(/#-_-)/~┻┻〃
 
user116211
I'm fed up with engineering questions flooding the Physics ;O
 
user116211
!!!gun
 
@pH13-YetanotherPhilipp lessfying
 
user116211
WTH!!
 
user116211
5:17 PM
I just am also fed up with my dongle ;(
 
user116211
@PhMgBr: when will you change your avatar again?
 
@MAFIA36790 You what?
@MAFIA36790 A username change will also be accompanied, so at least a month from now on.
 
6:10 PM
@pH13-YetanotherPhilipp If you're able to verify the answer, then why bother asking in the first place?
 
@pentavalentcarbon Don't think he meant that.
Maybe he just meant he tests stuff before accepting those answers.
 
@pentavalentcarbon I mean I have to read it carefully and have to find out if it answers my question or helps me answering myself. Right now I'm not satisfied enough the way it is. But I have to find out if it is because of me or because of your answer.
 
@pH13-YetanotherPhilipp Both
!!gun
 
!! ( メ▼Д▼)┏☆====(((_◇_)======⊃
 
6:26 PM
!!flip
 
ノToT)ノ ~┻┻
 
6:51 PM
@Mart @Any other mods we have a spammer account that should be nuked ASAP.
 
7:21 PM
@PhMgBr destroyed. good night
 
@Martin-マーチン Thanks!
 

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