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Lucas Wagner
8/10/12
Slater determinant
FYI, everyone, I plan to make some changes in the Slater determinant object over the next week or so,
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Slater determinant
FYI, everyone, I plan to make some changes in the Slater determinant object over the next week or so,
8/10/12
Lucas Wagner
2/17/12
qwalk 0.96.0 released
Dear QWalk users, I'm pleased to announce that qwalk 0.96.0 has been released. There was no
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qwalk 0.96.0 released
Dear QWalk users, I'm pleased to announce that qwalk 0.96.0 has been released. There was no
2/17/12
Jindrich Kolorenc
, …
Lucas Wagner
9
10/26/11
storage order for Hessian matrix
On Wed, Oct 26, 2011 at 5:21 PM, Jindrich Kolorenc <kolo...@fzu.cz> wrote: > Lucas> no
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storage order for Hessian matrix
On Wed, Oct 26, 2011 at 5:21 PM, Jindrich Kolorenc <kolo...@fzu.cz> wrote: > Lucas> no
10/26/11
Lucas Wagner
9/8/11
New change in properties breaks SHDMC and forward walking
Hi everyone, I fixed a long-standing issue with the averaging, in which QWalk kept way too much in
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New change in properties breaks SHDMC and forward walking
Hi everyone, I fixed a long-standing issue with the averaging, in which QWalk kept way too much in
9/8/11
Shi Guo
,
Michal Bajdich
2
8/18/11
from nwchem to qmc
Thanks a lot, Shi Guo. Michal On Thu, Aug 18, 2011 at 5:13 PM, Shi Guo <guosh...@gmail.com>
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from nwchem to qmc
Thanks a lot, Shi Guo. Michal On Thu, Aug 18, 2011 at 5:13 PM, Shi Guo <guosh...@gmail.com>
8/18/11
Qingpeng Niu
,
Lucas Wagner
2
8/15/11
about building qwalk on blue gene/P
Hi Qingpeng, I think that Elif Ertekin has done it. If you've had any particular troubles, post
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about building qwalk on blue gene/P
Hi Qingpeng, I think that Elif Ertekin has done it. If you've had any particular troubles, post
8/15/11
Jindra Kolorenc
, …
Lucas Wagner
5
7/5/11
format of the ORB file for splines
Lucas and Michal, Thank you for the quick answers, I should have all the info I need now. If I hit a
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format of the ORB file for splines
Lucas and Michal, Thank you for the quick answers, I should have all the info I need now. If I hit a
7/5/11
Michal Bajdich
,
Lucas Wagner
2
6/27/11
config file > 2Gb in DMC
Michal, If you change int filepos=is.tellg() ; to long int filepos=is.tellg(); does it work properly?
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config file > 2Gb in DMC
Michal, If you change int filepos=is.tellg() ; to long int filepos=is.tellg(); does it work properly?
6/27/11
Lucas Wagner
5/4/11
New templating mechanism
Hi everyone, After some comments from Paul Kent, I decided to go ahead and work on fixing the
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New templating mechanism
Hi everyone, After some comments from Paul Kent, I decided to go ahead and work on fixing the
5/4/11
Lucas Wagner
11/5/10
compile on Blue Gene?
Hi everyone, I remember someone mentioning compiling QWalk on Blue Gene. I'm trying to do it
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compile on Blue Gene?
Hi everyone, I remember someone mentioning compiling QWalk on Blue Gene. I'm trying to do it
11/5/10
Lucas Wagner
,
Paul
4
9/22/10
committed: better handling of wave functions in Slat_det
(i) I didn't test all the paramter optimization variants, so Slat_wf is safer, at least until we
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committed: better handling of wave functions in Slat_det
(i) I didn't test all the paramter optimization variants, so Slat_wf is safer, at least until we
9/22/10
Lucas Wagner
,
Jindrich Kolorenc
4
7/16/10
qwalk_ncsu: please pull if you want me to collect your updates
> What does sqd2qmc do?? I am afraid I cannot help you with that, all I know is that it comes from
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qwalk_ncsu: please pull if you want me to collect your updates
> What does sqd2qmc do?? I am afraid I cannot help you with that, all I know is that it comes from
7/16/10
Lucas Wagner
, …
Lubos Mitas
5
5/19/10
skype meeting for May
Lucas, I guess people have more travels over these periods (spring and early summer). Two of my guys
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skype meeting for May
Lucas, I guess people have more travels over these periods (spring and early summer). Two of my guys
5/19/10
Lucas Wagner
,
Kevin Rasch
6
5/13/10
New feature: single configuration file across all nodes
Lucas, Thanks! That fixed it. All appears to work as designed :) Cheers, Kevin On May 13, 2010, at 12
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New feature: single configuration file across all nodes
Lucas, Thanks! That fixed it. All appears to work as designed :) Cheers, Kevin On May 13, 2010, at 12
5/13/10
Lucas Wagner
4/18/10
pull
I've finished the majority of the code changes with respect to the auxiliary variables. Feel free
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pull
I've finished the majority of the code changes with respect to the auxiliary variables. Feel free
4/18/10
Lucas Wagner
4/13/10
auxiliary walkers
I'm currently removing the concept of auxiliary walkers from the code. The problem with the
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auxiliary walkers
I'm currently removing the concept of auxiliary walkers from the code. The problem with the
4/13/10
Lucas Wagner
4/13/10
summary of Skype meeting
Hi everyone, some notes from the meeting. Development strategy: -We agreed that the way development
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summary of Skype meeting
Hi everyone, some notes from the meeting. Development strategy: -We agreed that the way development
4/13/10
kevin rasch
,
Lucas Wagner
2
4/12/10
Complex Wave Functions in Large Simulation Cells
Kevin, Please post your input files. It's a bit strange that the amplitude is *decreasing* as you
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Complex Wave Functions in Large Simulation Cells
Kevin, Please post your input files. It's a bit strange that the amplitude is *decreasing* as you
4/12/10