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Oliver Stueker
, …
Peter Murray-Rust
5
12/7/19
Jumbo-Converters & CML -- sunsetting of Mercurial in Bitbucket
sorry I wasn't online yesterday. Might try in (say) 8 hours. On Fri, Dec 6, 2019 at 9:21 PM Peter
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Jumbo-Converters & CML -- sunsetting of Mercurial in Bitbucket
sorry I wasn't online yesterday. Might try in (say) 8 hours. On Fri, Dec 6, 2019 at 9:21 PM Peter
12/7/19
Oliver Stueker
,
Peter Murray-Rust
4
5/5/15
Re: Shutdown Wikispot
wget and regex is great. The main problems are usually how to manage the results. On Tue, May 5, 2015
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Re: Shutdown Wikispot
wget and regex is great. The main problems are usually how to manage the results. On Tue, May 5, 2015
5/5/15
Oliver Stueker
, …
Karol M. Langner
14
4/2/15
CML Validation
I have no specific need at the moment. I am thinking more about the process in general. - Karol On
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CML Validation
I have no specific need at the moment. I am thinking more about the process in general. - Karol On
4/2/15
Oliver Stueker
,
Peter Murray-Rust
12
3/5/15
Jumbo Converters
Personally I try to avoid this sort of computation in XSL if possible. I suspect that the expression
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Jumbo Converters
Personally I try to avoid this sort of computation in XSL if possible. I suspect that the expression
3/5/15
Oliver Stueker
, …
Peter Murray-Rust
5
4/10/14
Questions on Quixote and Chempound
On Thu, Apr 10, 2014 at 3:42 PM, Oliver Stueker <ostu...@gmail.com> wrote: Hi everyone, Thanks
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Questions on Quixote and Chempound
On Thu, Apr 10, 2014 at 3:42 PM, Oliver Stueker <ostu...@gmail.com> wrote: Hi everyone, Thanks
4/10/14
Peter Murray-Rust
, …
Marcus D. Hanwell
9
12/26/11
Chempound-Quixote
and from me. Settling down in the next day or so to refactor JUMBO-converters for the workshop On Sun
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Chempound-Quixote
and from me. Settling down in the next day or so to refactor JUMBO-converters for the workshop On Sun
12/26/11
Peter Murray-Rust
,
Sam Adams
3
11/14/11
Re: More on NWChem and Chempound
Many thanks Sam, [I am now returned from Australia]. Just to re-emphasize how grateful we are to Sam
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Re: More on NWChem and Chempound
Many thanks Sam, [I am now returned from Australia]. Just to re-emphasize how grateful we are to Sam
11/14/11
Peter Murray-Rust
,
Sam Adams
2
11/13/11
Re: NWChem2CML stand alone jar
On 10 November 2011 22:43, Peter Murray-Rust <pm...@cam.ac.uk> wrote: I still have the question
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Re: NWChem2CML stand alone jar
On 10 November 2011 22:43, Peter Murray-Rust <pm...@cam.ac.uk> wrote: I still have the question
11/13/11
Peter Murray-Rust
11/10/11
Re: Question on NWChem conversion steps
I am recopying this to the Quixote mail list. We (and I am as bad as anyone!) should be using these
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Re: Question on NWChem conversion steps
I am recopying this to the Quixote mail list. We (and I am as bad as anyone!) should be using these
11/10/11
Peter Murray-Rust
10/24/11
Next phase of work on NWChem
I am now in PNNL and will be here for ca 9 days working with Bert deJong and colleagues. In that time
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Next phase of work on NWChem
I am now in PNNL and will be here for ca 9 days working with Bert deJong and colleagues. In that time
10/24/11
Peter Murray-Rust
9/4/11
Update
Marcus Thanks for your continuing interest. The good news at Zaragoza was that it proved easy for
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Update
Marcus Thanks for your continuing interest. The good news at Zaragoza was that it proved easy for
9/4/11
Pablo Echenique
,
Peter Murray-Rust
2
8/23/11
jumboconverters compilation error
On Tue, Aug 23, 2011 at 11:27 AM, Pablo Echenique <echen...@gmail.com> wrote: Dear everyone,
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jumboconverters compilation error
On Tue, Aug 23, 2011 at 11:27 AM, Pablo Echenique <echen...@gmail.com> wrote: Dear everyone,
8/23/11
Pablo Echenique
,
Peter Murray-Rust
3
8/21/11
lensfield --update fails in my machine
Sam, are you able to help with this? In the longer term Sam and I have been discussing the cost-
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lensfield --update fails in my machine
Sam, are you able to help with this? In the longer term Sam and I have been discussing the cost-
8/21/11
Peter Murray-Rust
,
DeJong, Wibe A
7
8/16/11
NWChem/Quixote at EBI
Thanks, On Wed, Aug 17, 2011 at 12:05 AM, DeJong, Wibe A <Wibe....@pnnl.gov> wrote: Peter,
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NWChem/Quixote at EBI
Thanks, On Wed, Aug 17, 2011 at 12:05 AM, DeJong, Wibe A <Wibe....@pnnl.gov> wrote: Peter,
8/16/11
Pablo Echenique
7/30/11
Quixote meeting on August 25 at Zaragoza, Spain
Dear friends, all of you and the people you consider could be interested are invited to the meeting
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Quixote meeting on August 25 at Zaragoza, Spain
Dear friends, all of you and the people you consider could be interested are invited to the meeting
7/30/11
Peter Murray-Rust
, …
Jorge Estrada
5
6/24/11
Final Quixote paper
Congratulations too for the paper, and thanks to all those who have contributed (for instance,
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Final Quixote paper
Congratulations too for the paper, and thanks to all those who have contributed (for instance,
6/24/11
Peter Murray-Rust
, …
paul.s...@stfc.ac.uk
5
6/22/11
latest version of Quixote paper
On Wed, Jun 22, 2011 at 8:01 AM, <paul.s...@stfc.ac.uk> wrote: I have made some changes now
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latest version of Quixote paper
On Wed, Jun 22, 2011 at 8:01 AM, <paul.s...@stfc.ac.uk> wrote: I have made some changes now
6/22/11
Peter Murray-Rust
,
Pablo Echenique
2
6/14/11
Vocabulary and dictionaries
Hi, tomorrow I am in a travel, but after that I can help with anything. Best, Pablo. On Tue, Jun 14,
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Vocabulary and dictionaries
Hi, tomorrow I am in a travel, but after that I can help with anything. Best, Pablo. On Tue, Jun 14,
6/14/11
Peter Murray-Rust
,
Pablo Echenique
5
6/14/11
Additions to paper
On Tue, Jun 14, 2011 at 10:27 AM, Pablo Echenique <echen...@gmail.com> wrote: I have
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Additions to paper
On Tue, Jun 14, 2011 at 10:27 AM, Pablo Echenique <echen...@gmail.com> wrote: I have
6/14/11
Peter Murray-Rust
6/13/11
Revised paper
I have written 2-3 pages as a result of our last skype call and will try to weld them into the paper.
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Revised paper
I have written 2-3 pages as a result of our last skype call and will try to weld them into the paper.
6/13/11
Sam Adams
, …
Marcus D. Hanwell
27
6/9/11
Public Chempound repository!
Please let me know of any developments - not able to connect today unfortunately. I will be around
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Public Chempound repository!
Please let me know of any developments - not able to connect today unfortunately. I will be around
6/9/11
Peter Murray-Rust
, …
Egon Willighagen
6
6/8/11
ANNOUNCE: Chempound repository now live
On Wed, Jun 8, 2011 at 2:17 PM, Sam Adams <se...@cam.ac.uk> wrote: > My current thoughts are
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ANNOUNCE: Chempound repository now live
On Wed, Jun 8, 2011 at 2:17 PM, Sam Adams <se...@cam.ac.uk> wrote: > My current thoughts are
6/8/11
Pablo Echenique
,
Peter Murray-Rust
2
6/8/11
skype meeting this Thursday
On Wed, Jun 8, 2011 at 9:21 AM, Pablo Echenique <echen...@gmail.com> wrote: Hi everyone, let
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skype meeting this Thursday
On Wed, Jun 8, 2011 at 9:21 AM, Pablo Echenique <echen...@gmail.com> wrote: Hi everyone, let
6/8/11
Peter Murray-Rust
, …
Noel O'Boyle
7
6/5/11
Questions and answers for compchem problems (?Shapado)
On 5 June 2011 14:38, Peter Murray-Rust <pm...@cam.ac.uk> wrote: > > > On Sun, Jun 5,
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Questions and answers for compchem problems (?Shapado)
On 5 June 2011 14:38, Peter Murray-Rust <pm...@cam.ac.uk> wrote: > > > On Sun, Jun 5,
6/5/11
Peter Murray-Rust
,
Pablo Echenique
2
6/4/11
UPDATE - landmark
This is actually impressive! We should meet next week to see how we can help with the dictionaries,
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UPDATE - landmark
This is actually impressive! We should meet next week to see how we can help with the dictionaries,
6/4/11
Pablo Echenique
,
Peter Murray-Rust
2
6/3/11
final draft
Many thanks , that's great, I think it will be a very important paper, especially with the
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final draft
Many thanks , that's great, I think it will be a very important paper, especially with the
6/3/11
Pablo Echenique
,
Peter Murray-Rust
5
6/2/11
JChemInf paper
On Thu, Jun 2, 2011 at 3:13 PM, Charlotte Bolton <charlott...@gmail.com> wrote: >> *
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JChemInf paper
On Thu, Jun 2, 2011 at 3:13 PM, Charlotte Bolton <charlott...@gmail.com> wrote: >> *
6/2/11
Pablo Echenique
,
Peter Murray-Rust
2
6/1/11
lensfield2, testing
On Wed, Jun 1, 2011 at 6:38 PM, Pablo Echenique <echen...@gmail.com> wrote: Hi, I am running
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lensfield2, testing
On Wed, Jun 1, 2011 at 6:38 PM, Pablo Echenique <echen...@gmail.com> wrote: Hi, I am running
6/1/11
se...@cam.ac.uk
6/1/11
Dictionaries
Hi, Peter and I started extracting a few terms for the comp chem dictionaries this morning. I've
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Dictionaries
Hi, Peter and I started extracting a few terms for the comp chem dictionaries this morning. I've
6/1/11
Pablo Echenique
,
Peter Murray-Rust
2
6/1/11
Lensfield for usecase
I intend to log in at 1700 UK but our network is very flaky so go ahead if I am not connected... P. -
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Lensfield for usecase
I intend to log in at 1700 UK but our network is very flaky so go ahead if I am not connected... P. -
6/1/11