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freud-users is read-only. Please post questions about freud in GitHub discussions:
https://github.com/glotzerlab/
freud/discussions/
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Joshua Anderson
12/6/23
freud support is moving to GitHub discussions!
All, Thanks for being a part of the freud user support community. Starting today, we are migrating to
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freud support is moving to GitHub discussions!
All, Thanks for being a part of the freud user support community. Starting today, we are migrating to
12/6/23
Tommy Waltmann
12/5/23
freud 2.13.2 Released
Version 2.13.2 of freud is now released. Thank you to all who contributed code and reported issues.
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freud 2.13.2 Released
Version 2.13.2 of freud is now released. Thank you to all who contributed code and reported issues.
12/5/23
Jenis Thongam
,
Tommy Waltmann
3
12/4/23
Rdf with unequal number of particles.
Hello Tommy, I tried your approach where I use all of the available particle coordinates in each data
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Rdf with unequal number of particles.
Hello Tommy, I tried your approach where I use all of the available particle coordinates in each data
12/4/23
Joshua Anderson
2
12/4/23
New members must request to join
Apparently, Google does not notify group owners when members request to join. I have adjusted the
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New members must request to join
Apparently, Google does not notify group owners when members request to join. I have adjusted the
12/4/23
jude vishnu
, …
Bradley Dice
4
11/14/23
freud cluster center of mass vs normally calculating com
I tried to reply to this earlier and lost my draft. In addition to what Tommy and Josh said, using `
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freud cluster center of mass vs normally calculating com
I tried to reply to this earlier and lost my draft. In addition to what Tommy and Josh said, using `
11/14/23
Bart Bruininks
, …
Tommy Waltmann
5
10/8/23
Obtaining the delta vectors of the distance
Hoi Tommy, Thanks even more, I think this is roughly what I was doing (I was performing the minimum
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Obtaining the delta vectors of the distance
Hoi Tommy, Thanks even more, I think this is roughly what I was doing (I was performing the minimum
10/8/23
jude vishnu
, …
Bart Bruininks
3
10/4/23
cluster
Hey Mohm and Tommy, Sorry for invading in the thread here and maybe I am a bit late to the party but
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cluster
Hey Mohm and Tommy, Sorry for invading in the thread here and maybe I am a bit late to the party but
10/4/23
Tommy Waltmann
9/18/23
freud 2.13.1 Released
Version 2.13.1 of freud is now released. Thank you to all who contributed code and reported issues.
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freud 2.13.1 Released
Version 2.13.1 of freud is now released. Thank you to all who contributed code and reported issues.
9/18/23
Alvaro Alexis Coreno Cortes
,
Tommy Waltmann
3
9/13/23
Freud Analysis
Thanks! Sorry for answering so late, it worked perfectly! Best, Alexis El martes, 5 de septiembre de
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Freud Analysis
Thanks! Sorry for answering so late, it worked perfectly! Best, Alexis El martes, 5 de septiembre de
9/13/23
Yanan Gong
, …
Tommy Waltmann
4
6/16/23
Failure to use cluster.Cluster()
Thank you both! I solved the problem, and it turns out that I did not install the correct package.
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Failure to use cluster.Cluster()
Thank you both! I solved the problem, and it turns out that I did not install the correct package.
6/16/23
Jenis Thongam
, …
Joshua Anderson
3
5/18/23
Rdf for aspherical particles (ellipses).
Jenis, PMFTXY (https://freud.readthedocs.io/en/latest/modules/pmft.html#freud.pmft.PMFTXY) can give
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Rdf for aspherical particles (ellipses).
Jenis, PMFTXY (https://freud.readthedocs.io/en/latest/modules/pmft.html#freud.pmft.PMFTXY) can give
5/18/23
Tommy Waltmann
5/10/23
freud 2.13.0 Released
Version 2.13.0 of freud is now released. Thank you to all who contributed code and reported issues.
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freud 2.13.0 Released
Version 2.13.0 of freud is now released. Thank you to all who contributed code and reported issues.
5/10/23
jude vishnu
,
gyorgy...@gmail.com
4
4/4/23
pressure elements profiles
Hi Jude, Off the top of my head I can recall these papers: Method of planes: https://journals.aps.org
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pressure elements profiles
Hi Jude, Off the top of my head I can recall these papers: Method of planes: https://journals.aps.org
4/4/23
Yaoting Zhang
, …
Tommy Waltmann
6
3/21/23
How to measure intermolecular atom distances
Thank you so much for your help Tommy This is what I end up using Let me know if I can optimize it
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How to measure intermolecular atom distances
Thank you so much for your help Tommy This is what I end up using Let me know if I can optimize it
3/21/23
nahid safari
,
Tommy Waltmann
2
3/13/23
Fixed-concentration boundary condition
Hi Nahid, Any fixed concentration boundary condition should be enforced by the simulation engine
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Fixed-concentration boundary condition
Hi Nahid, Any fixed concentration boundary condition should be enforced by the simulation engine
3/13/23
Jenis Thongam
,
Tommy Waltmann
3
12/15/22
Error in rdf plot of 2d system.
Dear Tommy, Thank you so much for the clarification. I can now implement the 2d rdf plot of my system
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Error in rdf plot of 2d system.
Dear Tommy, Thank you so much for the clarification. I can now implement the 2d rdf plot of my system
12/15/22
Tommy Waltmann
12/6/22
freud 2.12.1 Released
Version 2.12.1 of freud is now released. Thank you to all who contributed code and reported issues.
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freud 2.12.1 Released
Version 2.12.1 of freud is now released. Thank you to all who contributed code and reported issues.
12/6/22
jude vishnu
, …
Bradley Dice
4
11/18/22
rdf-avoiding directly bonded polymer ebads
Jude, Here's what I would suggest: 1. Find all neighbors (including bonded polymer particles)
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rdf-avoiding directly bonded polymer ebads
Jude, Here's what I would suggest: 1. Find all neighbors (including bonded polymer particles)
11/18/22
jude vishnu
,
Tommy Waltmann
4
11/15/22
removing bonds
Hi, Just wanted to update on my previous email. I found a faster way that could work: sel - linear
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removing bonds
Hi, Just wanted to update on my previous email. I found a faster way that could work: sel - linear
11/15/22
Tommy Waltmann
11/11/22
freud 2.12.0 Released
Version 2.12.0 of freud is now released. Thank you to all who contributed code and reported issues.
unread,
freud 2.12.0 Released
Version 2.12.0 of freud is now released. Thank you to all who contributed code and reported issues.
11/11/22
ppeg
,
Tommy Waltmann
8
11/2/22
Scipy-style ridges
Paolo, I don't think numpy has a built-in set union for 2D arrays, but by composing different
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Scipy-style ridges
Paolo, I don't think numpy has a built-in set union for 2D arrays, but by composing different
11/2/22
Yaoting Zhang
,
Bradley Dice
3
11/1/22
Obtaining stack size in a semi-nematic system
Hi Bradley, Thank you for the detailed instruction on this. Without your help I would not be able to
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Obtaining stack size in a semi-nematic system
Hi Bradley, Thank you for the detailed instruction on this. Without your help I would not be able to
11/1/22
jude vishnu
, …
Bradley Dice
4
10/18/22
question about distance based clustering
Hai, Thank you for your suggestion. Could you look at my rdf and tell me what is the minima after the
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question about distance based clustering
Hai, Thank you for your suggestion. Could you look at my rdf and tell me what is the minima after the
10/18/22
jude vishnu
, …
Tommy Waltmann
6
8/26/22
bond clustering
Hi, Just so everyone is up to date, I was able to debug this in some private emails with Jude, and we
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bond clustering
Hi, Just so everyone is up to date, I was able to debug this in some private emails with Jude, and we
8/26/22
yunhan zhang
,
Joshua Anderson
2
8/24/22
Can we analyze simulation data from HOOMD-blue at runtime by parallel?
Yunhan, HOOMD-blue does not duplicate particle snapshot data across ranks. Please see this tutorial
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Can we analyze simulation data from HOOMD-blue at runtime by parallel?
Yunhan, HOOMD-blue does not duplicate particle snapshot data across ranks. Please see this tutorial
8/24/22
Tommy Waltmann
8/10/22
freud 2.11.0 Released
Version 2.11.0 of freud is now released. Thank you to all who contributed code and reported issues.
unread,
freud 2.11.0 Released
Version 2.11.0 of freud is now released. Thank you to all who contributed code and reported issues.
8/10/22
Shuai Jiang
,
Tommy Waltmann
2
6/24/22
dump cluster coordinates
Hi, I don't completely understand the problem. Do you perceive there is a bug in freud's
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dump cluster coordinates
Hi, I don't completely understand the problem. Do you perceive there is a bug in freud's
6/24/22
jude vishnu
,
Bradley Dice
2
6/19/22
Rg of clusters
Jude, The gyration tensor is computed as described on Wikipedia: https://en.wikipedia.org/wiki/
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Rg of clusters
Jude, The gyration tensor is computed as described on Wikipedia: https://en.wikipedia.org/wiki/
6/19/22
Tommy Waltmann
4/20/22
freud 2.9.0 Released
Version 2.9.0 of freud is now released. Thank you to all who contributed code and reported issues.
unread,
freud 2.9.0 Released
Version 2.9.0 of freud is now released. Thank you to all who contributed code and reported issues.
4/20/22
jude vishnu
,
Tommy Waltmann
4
2/21/22
Non periodic neighbors error
Hi Jude, It's great that you were able to identify a workaround so your code is working in both
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Non periodic neighbors error
Hi Jude, It's great that you were able to identify a workaround so your code is working in both
2/21/22