From owner-chemistry@ccl.net Tue Jan 11 13:14:00 2022
From: "Andrew DeYoung andrewdaviddeyoung###gmail.com" <owner-chemistry%a%server.ccl.net>
To: CCL
Subject: CCL:G: Scientific notation in Gaussian 16
Message-Id: <-54576-220111125807-10655-B+a1ApIZepXC9mj6XxYHLw%a%server.ccl.net>
X-Original-From: Andrew DeYoung <andrewdaviddeyoung ~ gmail.com>
Content-Type: multipart/alternative; boundary="000000000000a1e4d805d5523158"
Date: Tue, 11 Jan 2022 12:57:50 -0500
MIME-Version: 1.0


Sent to CCL by: Andrew DeYoung [andrewdaviddeyoung|-|gmail.com]
--000000000000a1e4d805d5523158
Content-Type: text/plain; charset="UTF-8"

Hi,

It appears that various quantities that are output by Gaussian 16 use
notation of the form 6.626D-34.  Is it correct for me to assume that this
represents 6.626*10^(-34), and is equivalent to the scientific notation
6.626E-34 or 6.626e-34 used in other areas, such as in C/C++, Python, and
MATLAB?  Or does the "D" represent anything different from, or in addition
to, "*10^"?

Thank you for bearing with me with this question.  (I am what we call in
the US a millennial, and am not terribly well acquainted with the sometimes
historical origins and meanings of notation!)

Best,
Andrew

Andrew DeYoung, PhD
Department of Chemistry
Carnegie Mellon University

--000000000000a1e4d805d5523158
Content-Type: text/html; charset="UTF-8"
Content-Transfer-Encoding: quoted-printable

<div dir=3D"ltr">Hi,<div><br></div><div>It appears that various quantities =
that are output by Gaussian 16 use notation of the form 6.626D-34.=C2=A0 Is=
 it correct for me to assume that this represents 6.626*10^(-34), and is eq=
uivalent=C2=A0to the scientific notation 6.626E-34 or 6.626e-34 used in oth=
er areas, such as in C/C++, Python, and MATLAB?=C2=A0 Or does the &quot;D&q=
uot; represent anything different from, or in addition to, &quot;*10^&quot;=
?</div><div><br></div><div>Thank you for bearing with me with this question=
.=C2=A0 (I am what we call in the US a millennial, and am not terribly well=
 acquainted with the sometimes historical origins and meanings of notation!=
)</div><div><br></div><div>Best,</div><div>Andrew</div><div><br></div><div>=
Andrew DeYoung, PhD</div><div>Department of Chemistry</div><div>Carnegie Me=
llon University</div></div>

--000000000000a1e4d805d5523158--


From owner-chemistry@ccl.net Tue Jan 11 14:17:00 2022
From: "Joseph Leonard jleonard42===gmail.com" <owner-chemistry..server.ccl.net>
To: CCL
Subject: CCL:G: Scientific notation in Gaussian 16
Message-Id: <-54577-220111141611-20456-pV/M2LmPjW+uUIdnFgtE5Q..server.ccl.net>
X-Original-From: Joseph Leonard <jleonard42]=[gmail.com>
Content-Type: multipart/alternative; boundary="000000000000e3975e05d5534848"
Date: Tue, 11 Jan 2022 14:15:54 -0500
MIME-Version: 1.0


Sent to CCL by: Joseph Leonard [jleonard42-$-gmail.com]
--000000000000e3975e05d5534848
Content-Type: text/plain; charset="UTF-8"
Content-Transfer-Encoding: quoted-printable

D means double precision as I recall.  I vaguely remember q appearing
somewhere when quad precision was used.  E would be single precision.
They=E2=80=99re all scientific notation as you surmise.

Joe

On Tue, Jan 11, 2022 at 2:13 PM Andrew DeYoung andrewdaviddeyoung###
gmail.com <owner-chemistry/./ccl.net> wrote:

> Hi,
>
> It appears that various quantities that are output by Gaussian 16 use
> notation of the form 6.626D-34.  Is it correct for me to assume that this
> represents 6.626*10^(-34), and is equivalent to the scientific notation
> 6.626E-34 or 6.626e-34 used in other areas, such as in C/C++, Python, and
> MATLAB?  Or does the "D" represent anything different from, or in additio=
n
> to, "*10^"?
>
> Thank you for bearing with me with this question.  (I am what we call in
> the US a millennial, and am not terribly well acquainted with the sometim=
es
> historical origins and meanings of notation!)
>
> Best,
> Andrew
>
> Andrew DeYoung, PhD
> Department of Chemistry
> Carnegie Mellon University
>
--=20
--
The London Underground is not a political movement...

--000000000000e3975e05d5534848
Content-Type: text/html; charset="UTF-8"
Content-Transfer-Encoding: quoted-printable

<div dir=3D"auto">D means double precision as I recall.=C2=A0 I vaguely rem=
ember q appearing somewhere when quad precision was used.=C2=A0 E would be =
single precision.=C2=A0 They=E2=80=99re all scientific notation as you surm=
ise.</div><div dir=3D"auto"><br></div><div dir=3D"auto">Joe</div><div><br><=
div class=3D"gmail_quote"><div dir=3D"ltr" class=3D"gmail_attr">On Tue, Jan=
 11, 2022 at 2:13 PM Andrew DeYoung andrewdaviddeyoung###<a href=3D"http://=
gmail.com">gmail.com</a> &lt;<a href=3D"mailto:owner-chemistry/./ccl.net">own=
er-chemistry/./ccl.net</a>&gt; wrote:<br></div><blockquote class=3D"gmail_quo=
te" style=3D"margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"=
><div dir=3D"ltr">Hi,<div><br></div><div>It appears that various quantities=
 that are output by Gaussian 16 use notation of the form 6.626D-34.=C2=A0 I=
s it correct for me to assume that this represents 6.626*10^(-34), and is e=
quivalent=C2=A0to the scientific notation 6.626E-34 or 6.626e-34 used in ot=
her areas, such as in C/C++, Python, and MATLAB?=C2=A0 Or does the &quot;D&=
quot; represent anything different from, or in addition to, &quot;*10^&quot=
;?</div><div><br></div><div>Thank you for bearing with me with this questio=
n.=C2=A0 (I am what we call in the US a millennial, and am not terribly wel=
l acquainted with the sometimes historical origins and meanings of notation=
!)</div><div><br></div><div>Best,</div><div>Andrew</div><div><br></div><div=
>Andrew DeYoung, PhD</div><div>Department of Chemistry</div><div>Carnegie M=
ellon University</div></div>
</blockquote></div></div>-- <br><div dir=3D"ltr" class=3D"gmail_signature" =
data-smartmail=3D"gmail_signature"><div dir=3D"ltr">--<div><div>The London =
Underground is not a political movement...</div></div></div></div>

--000000000000e3975e05d5534848--


From owner-chemistry@ccl.net Tue Jan 11 15:01:01 2022
From: "=?utf-8?B?TWFyaXVzeiBSYWRvxYQ=?= mariusz.radon[]uj.edu.pl" <owner-chemistry:_:server.ccl.net>
To: CCL
Subject: CCL:G: Scientific notation in Gaussian 16
Message-Id: <-54578-220111145945-16737-8RKwL20kxwdIR00Uj0qQ8g:_:server.ccl.net>
X-Original-From: =?utf-8?B?TWFyaXVzeiBSYWRvxYQ=?= <mariusz.radon::uj.edu.pl>
Content-ID: <3E801D96ADB8CF45B9816294D22DB51E:_:eurprd04.prod.outlook.com>
Content-Language: en-US
Content-Transfer-Encoding: 8bit
Content-Type: text/plain; charset="utf-8"
Date: Tue, 11 Jan 2022 19:59:39 +0000
MIME-Version: 1.0


Sent to CCL by: =?utf-8?B?TWFyaXVzeiBSYWRvxYQ=?= [mariusz.radon(a)uj.edu.pl]


> On 11 Jan 2022, at 18:57, Andrew DeYoung andrewdaviddeyoung###gmail.com <owner-chemistry()ccl.net> wrote:
> 
> Hi,
> 
> It appears that various quantities that are output by Gaussian 16 use notation of the form 6.626D-34.  Is it correct for me to assume that this represents 6.626*10^(-34), and is equivalent to the scientific notation 6.626E-34 or 6.626e-34 used in other areas, such as in C/C++, Python, and MATLAB?  Or does the "D" represent anything different from, or in addition to, "*10^"?
> 
> Thank you for bearing with me with this question.  (I am what we call in the US a millennial, and am not terribly well acquainted with the sometimes historical origins and meanings of notation!)
> 
> Best,
> Andrew
> 
> Andrew DeYoung, PhD
> Department of Chemistry
> Carnegie Mellon University

Dear Andrew:
You are right that "D” just represents "*10^”.  

The D specifier informs you that the number printed was a double-precission real number in the FORTRAN program. You can find more about this by searching for FORTRAN formats.

Best wishes,
Mariusz Radon





-- 
Mariusz Radon, Ph.D., D.Sc.
Assistant Professor
Faculty of Chemistry, Jagiellonian University

Address: Gronostajowa 2, 30-387 Krakow, Poland
Room C1-06, Phone: 48-12-686-24-89
E-mail: mradon()chemia.uj.edu.pl (mariusz.radon()uj.edu.pl)
Web: https://tungsten.ch.uj.edu.pl/~mradon
ORCID: https://orcid.org/0000-0002-1901-8521


From owner-chemistry@ccl.net Tue Jan 11 15:36:00 2022
From: "Marcos Verissimo Alves marcos_verissimo(0)id.uff.br" <owner-chemistry!A!server.ccl.net>
To: CCL
Subject: CCL:G: Scientific notation in Gaussian 16
Message-Id: <-54579-220111150002-16931-3hD+M80JwIAeAqR5tbLDBA!A!server.ccl.net>
X-Original-From: Marcos Verissimo Alves <marcos_verissimo###id.uff.br>
Content-Type: multipart/alternative; boundary="000000000000ad42e605d553e577"
Date: Tue, 11 Jan 2022 16:59:20 -0300
MIME-Version: 1.0


Sent to CCL by: Marcos Verissimo Alves [marcos_verissimo(0)id.uff.br]
--000000000000ad42e605d553e577
Content-Type: text/plain; charset="UTF-8"
Content-Transfer-Encoding: quoted-printable

Hi Andrew,

In Fortran (I'm a Fortran programmer), we use "D" to designate a
double-precision representation written in scientific notation, while "E"
designates simple precision. That is very likely the reason for the "D"
since a quick glance at the Wikipedia page for the list of Quantum
Chemistry and Solid-State Physics software
<https://en.wikipedia.org/wiki/List_of_quantum_chemistry_and_solid-state_ph=
ysics_software>
shows
that Gaussian is written in Fortran.

Best regards,

Marcos
---

Dr. Marcos Verissimo Alves
Prof. Adjunto II, Curso de F=C3=ADsica Computacional
Instituto de Ci=C3=AAncias Exatas
Universidade Federal Fluminense
Volta Redonda - RJ, Brasil



Em ter., 11 de jan. de 2022 =C3=A0s 16:33, Andrew DeYoung andrewdaviddeyoun=
g###
gmail.com <owner-chemistry(-)ccl.net> escreveu:

> Hi,
>
> It appears that various quantities that are output by Gaussian 16 use
> notation of the form 6.626D-34.  Is it correct for me to assume that this
> represents 6.626*10^(-34), and is equivalent to the scientific notation
> 6.626E-34 or 6.626e-34 used in other areas, such as in C/C++, Python, and
> MATLAB?  Or does the "D" represent anything different from, or in additio=
n
> to, "*10^"?
>
> Thank you for bearing with me with this question.  (I am what we call in
> the US a millennial, and am not terribly well acquainted with the sometim=
es
> historical origins and meanings of notation!)
>
> Best,
> Andrew
>
> Andrew DeYoung, PhD
> Department of Chemistry
> Carnegie Mellon University
>

--000000000000ad42e605d553e577
Content-Type: text/html; charset="UTF-8"
Content-Transfer-Encoding: quoted-printable

<div dir=3D"ltr">Hi Andrew,<div><br></div><div>In Fortran (I&#39;m a Fortra=
n programmer), we use &quot;D&quot; to designate a double-precision represe=
ntation written in scientific notation, while &quot;E&quot; designates simp=
le precision. That is very likely the reason for the &quot;D&quot; since a =
quick glance at <a href=3D"https://en.wikipedia.org/wiki/List_of_quantum_ch=
emistry_and_solid-state_physics_software">the Wikipedia page for the list o=
f Quantum Chemistry and Solid-State Physics software</a>=C2=A0shows that Ga=
ussian is written in Fortran.</div><div><br></div><div>Best regards,</div><=
div><br></div><div>Marcos</div><div><div><div dir=3D"ltr" class=3D"gmail_si=
gnature" data-smartmail=3D"gmail_signature"><div dir=3D"ltr"><div dir=3D"lt=
r"><div dir=3D"ltr"><div dir=3D"ltr"><div dir=3D"ltr"><div>---</div><div><b=
r></div><div>Dr. Marcos Verissimo Alves<br></div><div>Prof. Adjunto II, Cur=
so de F=C3=ADsica Computacional</div><div><span style=3D"font-size:12.8px">=
Instituto de Ci=C3=AAncias Exatas</span><br></div><div>Universidade Federal=
 Fluminense</div><div>Volta Redonda - RJ, Brasil<br><br></div></div></div><=
/div></div></div></div></div><br></div></div><br><div class=3D"gmail_quote"=
><div dir=3D"ltr" class=3D"gmail_attr">Em ter., 11 de jan. de 2022 =C3=A0s =
16:33, Andrew DeYoung andrewdaviddeyoung###<a href=3D"http://gmail.com">gma=
il.com</a> &lt;<a href=3D"mailto:owner-chemistry(-)ccl.net">owner-chemistry(-)c=
cl.net</a>&gt; escreveu:<br></div><blockquote class=3D"gmail_quote" style=
=3D"margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding=
-left:1ex"><div dir=3D"ltr">Hi,<div><br></div><div>It appears that various =
quantities that are output by Gaussian 16 use notation of the form 6.626D-3=
4.=C2=A0 Is it correct for me to assume that this represents 6.626*10^(-34)=
, and is equivalent=C2=A0to the scientific notation 6.626E-34 or 6.626e-34 =
used in other areas, such as in C/C++, Python, and MATLAB?=C2=A0 Or does th=
e &quot;D&quot; represent anything different from, or in addition to, &quot=
;*10^&quot;?</div><div><br></div><div>Thank you for bearing with me with th=
is question.=C2=A0 (I am what we call in the US a millennial, and am not te=
rribly well acquainted with the sometimes historical origins and meanings o=
f notation!)</div><div><br></div><div>Best,</div><div>Andrew</div><div><br>=
</div><div>Andrew DeYoung, PhD</div><div>Department of Chemistry</div><div>=
Carnegie Mellon University</div></div>
</blockquote></div>

--000000000000ad42e605d553e577--


From owner-chemistry@ccl.net Tue Jan 11 16:11:00 2022
From: "Johannes Margraf margraf]=[fhi-berlin.mpg.de" <owner-chemistry,,server.ccl.net>
To: CCL
Subject: CCL:G: Scientific notation in Gaussian 16
Message-Id: <-54580-220111151216-27766-HhwaYd9ZzIZ7kyP2+1oKZg,,server.ccl.net>
X-Original-From: Johannes Margraf <margraf[-]fhi-berlin.mpg.de>
Content-Type: multipart/alternative;
 boundary="=_75e476819f659470b0ecc452b4c18101"
Date: Tue, 11 Jan 2022 21:12:08 +0100
MIME-Version: 1.0


Sent to CCL by: Johannes Margraf [margraf|,|fhi-berlin.mpg.de]
--=_75e476819f659470b0ecc452b4c18101
Content-Transfer-Encoding: 7bit
Content-Type: text/plain; charset=US-ASCII;
 format=flowed

Dear Andrew,

this is how you write a double precision real in Fortran. In other 
words: It's more or less equivalent to 6.626E-34. Although you should 
note that this is a really small number and issues of precision might 
actually be pertinent here.

Best regards,

Hannes

On 2022-01-11 18:57, Andrew DeYoung andrewdaviddeyoung###gmail.com 
wrote:

> Hi,
> 
> It appears that various quantities that are output by Gaussian 16 use 
> notation of the form 6.626D-34.  Is it correct for me to assume that 
> this represents 6.626*10^(-34), and is equivalent to the scientific 
> notation 6.626E-34 or 6.626e-34 used in other areas, such as in C/C++, 
> Python, and MATLAB?  Or does the "D" represent anything different from, 
> or in addition to, "*10^"?
> 
> Thank you for bearing with me with this question.  (I am what we call 
> in the US a millennial, and am not terribly well acquainted with the 
> sometimes historical origins and meanings of notation!)
> 
> Best,
> Andrew
> 
> Andrew DeYoung, PhD
> Department of Chemistry
> Carnegie Mellon University
--=_75e476819f659470b0ecc452b4c18101
Content-Transfer-Encoding: quoted-printable
Content-Type: text/html; charset=UTF-8

<html><head><meta http-equiv=3D"Content-Type" content=3D"text/html; charset=
=3DUTF-8" /></head><body style=3D'font-size: 10pt; font-family: Verdana,Gen=
eva,sans-serif'>
<p>Dear Andrew,</p>
<p>this is how you write a double precision real in Fortran. In other words=
: It's more or less equivalent to 6.626E-34. Although you should note that =
this is a really small number and issues of precision might actually be per=
tinent here.</p>
<p>Best regards,</p>
<p>Hannes</p>
<p><br /></p>
<p id=3D"reply-intro">On 2022-01-11 18:57, Andrew DeYoung andrewdaviddeyoun=
g###gmail.com wrote:</p>
<blockquote type=3D"cite" style=3D"padding: 0 0.4em; border-left: #1010ff 2=
px solid; margin: 0">
<div id=3D"replybody1">
<div dir=3D"ltr">Hi,
<div>&nbsp;</div>
<div>It appears that various quantities that are output by Gaussian 16 use =
notation of the form 6.626D-34.&nbsp; Is it correct for me to assume that t=
his represents 6.626*10^(-34), and is equivalent&nbsp;to the scientific not=
ation 6.626E-34 or 6.626e-34 used in other areas, such as in C/C++, Python,=
 and MATLAB?&nbsp; Or does the "D" represent anything different from, or in=
 addition to, "*10^"?</div>
<div>&nbsp;</div>
<div>Thank you for bearing with me with this question.&nbsp; (I am what we =
call in the US a millennial, and am not terribly well acquainted with the s=
ometimes historical origins and meanings of notation!)</div>
<div>&nbsp;</div>
<div>Best,</div>
<div>Andrew</div>
<div>&nbsp;</div>
<div>Andrew DeYoung, PhD</div>
<div>Department of Chemistry</div>
<div>Carnegie Mellon University</div>
</div>
</div>
</blockquote>
<p><br /></p>

</body></html>

--=_75e476819f659470b0ecc452b4c18101--


From owner-chemistry@ccl.net Tue Jan 11 16:46:00 2022
From: "Francois Dion meitnerium109%gmail.com" <owner-chemistry-#-server.ccl.net>
To: CCL
Subject: CCL:G: Scientific notation in Gaussian 16
Message-Id: <-54581-220111152618-7316-Q/A/JbvyybFHtaAGmt45jg-#-server.ccl.net>
X-Original-From: Francois Dion <meitnerium109%%gmail.com>
Content-Type: multipart/alternative; boundary="000000000000a8faa805d5544379"
Date: Tue, 11 Jan 2022 15:26:03 -0500
MIME-Version: 1.0


Sent to CCL by: Francois Dion [meitnerium109,gmail.com]
--000000000000a8faa805d5544379
Content-Type: text/plain; charset="UTF-8"
Content-Transfer-Encoding: quoted-printable

Hi Andrew,

The form D is a FORTRAN notation, meaning double precision. You can read it
in a way equivalent to the notation E. However, if a number is read in
FORTRAN with an E, the value will be in single precision. So you don't have
to worry if you don't plan to modify the Gaussian code.

Fran=C3=A7ois Dion

On Tue, Jan 11, 2022 at 2:19 PM Andrew DeYoung andrewdaviddeyoung###
gmail.com <owner-chemistry[a]ccl.net> wrote:

> Hi,
>
> It appears that various quantities that are output by Gaussian 16 use
> notation of the form 6.626D-34.  Is it correct for me to assume that this
> represents 6.626*10^(-34), and is equivalent to the scientific notation
> 6.626E-34 or 6.626e-34 used in other areas, such as in C/C++, Python, and
> MATLAB?  Or does the "D" represent anything different from, or in additio=
n
> to, "*10^"?
>
> Thank you for bearing with me with this question.  (I am what we call in
> the US a millennial, and am not terribly well acquainted with the sometim=
es
> historical origins and meanings of notation!)
>
> Best,
> Andrew
>
> Andrew DeYoung, PhD
> Department of Chemistry
> Carnegie Mellon University
>


--=20
Fran=C3=A7ois Dion

--000000000000a8faa805d5544379
Content-Type: text/html; charset="UTF-8"
Content-Transfer-Encoding: quoted-printable

<div dir=3D"ltr"><div dir=3D"ltr">Hi Andrew,<div><br></div><div>The form D =
is a FORTRAN notation, meaning double precision. You can read it in a way e=
quivalent to the notation E. However, if a number is read in FORTRAN with a=
n E, the value will be in single precision. So you don&#39;t have to worry =
if you don&#39;t plan to modify the Gaussian code.<br></div><div><br></div>=
<div>Fran=C3=A7ois Dion</div></div><br><div class=3D"gmail_quote"><div dir=
=3D"ltr" class=3D"gmail_attr">On Tue, Jan 11, 2022 at 2:19 PM Andrew DeYoun=
g andrewdaviddeyoung###<a href=3D"http://gmail.com">gmail.com</a> &lt;<a hr=
ef=3D"mailto:owner-chemistry[a]ccl.net">owner-chemistry[a]ccl.net</a>&gt; wrote=
:<br></div><blockquote class=3D"gmail_quote" style=3D"margin:0px 0px 0px 0.=
8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir=3D"lt=
r">Hi,<div><br></div><div>It appears that various quantities that are outpu=
t by Gaussian 16 use notation of the form 6.626D-34.=C2=A0 Is it correct fo=
r me to assume that this represents 6.626*10^(-34), and is equivalent=C2=A0=
to the scientific notation 6.626E-34 or 6.626e-34 used in other areas, such=
 as in C/C++, Python, and MATLAB?=C2=A0 Or does the &quot;D&quot; represent=
 anything different from, or in addition to, &quot;*10^&quot;?</div><div><b=
r></div><div>Thank you for bearing with me with this question.=C2=A0 (I am =
what we call in the US a millennial, and am not terribly well acquainted wi=
th the sometimes historical origins and meanings of notation!)</div><div><b=
r></div><div>Best,</div><div>Andrew</div><div><br></div><div>Andrew DeYoung=
, PhD</div><div>Department of Chemistry</div><div>Carnegie Mellon Universit=
y</div></div>
</blockquote></div><br clear=3D"all"><div><br></div>-- <br><div dir=3D"ltr"=
 class=3D"gmail_signature"><div dir=3D"ltr"><div>Fran=C3=A7ois Dion<br></di=
v></div></div></div>

--000000000000a8faa805d5544379--


From owner-chemistry@ccl.net Tue Jan 11 17:20:00 2022
From: "Igors Mihailovs igorsm:+:cfi.lu.lv" <owner-chemistry^^server.ccl.net>
To: CCL
Subject: CCL:G: [CCL]Re: CCL:G: Scientific notation in Gaussian 16
Message-Id: <-54582-220111155602-3671-Dh6jtSH7jJ41ge0pV7ARCw^^server.ccl.net>
X-Original-From: Igors Mihailovs <igorsm]|[cfi.lu.lv>
Content-Transfer-Encoding: 7bit
Content-Type: multipart/alternative;
 boundary=----18822V41NUDNDHLR39IY2MVE774IC7
Date: Tue, 11 Jan 2022 22:55:53 +0200
MIME-Version: 1.0


Sent to CCL by: Igors Mihailovs [igorsm]=[cfi.lu.lv]
------18822V41NUDNDHLR39IY2MVE774IC7
Content-Type: text/plain;
 charset=utf-8
Content-Transfer-Encoding: quoted-printable

Dear Andrew,

It's from Fortran=2E D means "double-precision"=2E E seems to be used for =
single-precision numbers=2E=20

Fortran is widely used in the computational community because it's very fa=
st with numerical operations, including matrix handling=2E

Sincerely,
Igors


On 11 January 2022 19:57:50 EET, "Andrew DeYoung andrewdaviddeyoung###gmai=
l=2Ecom" <owner-chemistry.^^.ccl=2Enet> wrote:
>Hi,
>
>It appears that various quantities that are output by Gaussian 16 use
>notation of the form 6=2E626D-34=2E  Is it correct for me to assume that =
this
>represents 6=2E626*10^(-34), and is equivalent to the scientific notation
>6=2E626E-34 or 6=2E626e-34 used in other areas, such as in C/C++, Python,=
 and
>MATLAB?  Or does the "D" represent anything different from, or in additio=
n
>to, "*10^"?
>
>Thank you for bearing with me with this question=2E  (I am what we call i=
n
>the US a millennial, and am not terribly well acquainted with the sometim=
es
>historical origins and meanings of notation!)
>
>Best,
>Andrew
>
>Andrew DeYoung, PhD
>Department of Chemistry
>Carnegie Mellon University

--=20
Sent from my Android device with K-9 Mail=2E Please excuse my brevity=2E
------18822V41NUDNDHLR39IY2MVE774IC7
Content-Type: text/html;
 charset=utf-8
Content-Transfer-Encoding: quoted-printable

<html><head></head><body>Dear Andrew,<br><br>It's from Fortran=2E D means "=
double-precision"=2E E seems to be used for single-precision numbers=2E <br=
><br>Fortran is widely used in the computational community because it's ver=
y fast with numerical operations, including matrix handling=2E<br><br>Since=
rely,<br>Igors<br><br><br><div class=3D"gmail_quote">On 11 January 2022 19:=
57:50 EET, "Andrew DeYoung andrewdaviddeyoung###gmail=2Ecom" &lt;owner-chem=
istry.^^.ccl=2Enet&gt; wrote:<blockquote class=3D"gmail_quote" style=3D"margin=
: 0pt 0pt 0pt 0=2E8ex; border-left: 1px solid rgb(204, 204, 204); padding-l=
eft: 1ex;">
<div dir=3D"ltr">Hi,<div><br></div><div>It appears that various quantities=
 that are output by Gaussian 16 use notation of the form 6=2E626D-34=2E&nbs=
p; Is it correct for me to assume that this represents 6=2E626*10^(-34), an=
d is equivalent&nbsp;to the scientific notation 6=2E626E-34 or 6=2E626e-34 =
used in other areas, such as in C/C++, Python, and MATLAB?&nbsp; Or does th=
e "D" represent anything different from, or in addition to, "*10^"?</div><d=
iv><br></div><div>Thank you for bearing with me with this question=2E&nbsp;=
 (I am what we call in the US a millennial, and am not terribly well acquai=
nted with the sometimes historical origins and meanings of notation!)</div>=
<div><br></div><div>Best,</div><div>Andrew</div><div><br></div><div>Andrew =
DeYoung, PhD</div><div>Department of Chemistry</div><div>Carnegie Mellon Un=
iversity</div></div>
</blockquote></div><div style=3D'white-space: pre-wrap'><div class=3D'k9ma=
il-signature'>-- <br>Sent from my Android device with K-9 Mail=2E Please ex=
cuse my brevity=2E</div></div></body></html>
------18822V41NUDNDHLR39IY2MVE774IC7--