openkim

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7/8/20

OpenKIM Forum migrating from Google Groups to MatSci.org

Greetings, The KIM Project and the Materials Project have joined forces to organize a central

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OpenKIM Forum migrating from Google Groups to MatSci.org

Greetings, The KIM Project and the Materials Project have joined forces to organize a central

7/8/20

Yuri Vic, Ryan S. Elliott2

5/4/20

Some models aren't in the latest openkim-models release 2019.07.25

Hello Yuri, Yes, this is the latest release of the models collection archive. New and updated models

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Some models aren't in the latest openkim-models release 2019.07.25

Hello Yuri, Yes, this is the latest release of the models collection archive. New and updated models

5/4/20

Ευάγγελος Βογιατζής, … Ellad Tadmor12

3/28/20

KIM model driver for Buckingham potentials

Hi Evangelos, It is not possible at the moment, but it's a good idea. I'm surprised it hasn

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KIM model driver for Buckingham potentials

Hi Evangelos, It is not possible at the moment, but it's a good idea. I'm surprised it hasn

3/28/20

Joshua Vita, Ryan S. Elliott2

1/24/20

Overview of how to run tests locally?

Hi Joshua, Thanks for your message and interest in the project. We have been working on making it

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Overview of how to run tests locally?

Hi Joshua, Thanks for your message and interest in the project. We have been working on making it

1/24/20

Hervé Y., … Daniel Karls9

12/30/19

Asking for help in the install of Openkim in LAMMPS for Ubuntu

Hi Hervé, (1) If you did follow section D.1 of the KIM API install instructions (to install system-

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Asking for help in the install of Openkim in LAMMPS for Ubuntu

Hi Hervé, (1) If you did follow section D.1 of the KIM API install instructions (to install system-

12/30/19

Unkcpz Yu, … Ryan S. Elliott6

12/9/19

How to add tests for a new potential function?

Hi Jason, Thanks for the response. OK. I think we can do something, but there is still one

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How to add tests for a new potential function?

Hi Jason, Thanks for the response. OK. I think we can do something, but there is still one

12/9/19

Avadhoot Sinkar, Daniel Karls2

11/1/19

Compatibility of models available at openkim.org with the kim api versions

Hi Avadhoot, The incompatibility is indeed because that model was designed for KIM API 1.6 and you

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Compatibility of models available at openkim.org with the kim api versions

Hi Avadhoot, The incompatibility is indeed because that model was designed for KIM API 1.6 and you

11/1/19

Joonho Park, Ryan S. Elliott2

10/1/19

error in compiling KIM in lammps: ../lmptype.h:86:19: error: ‘INT64_MAX’ was not declared in this scope

Hello, Thanks for your message and for using the KIM system! The error you list does not appear to be

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error in compiling KIM in lammps: ../lmptype.h:86:19: error: ‘INT64_MAX’ was not declared in this scope

Hello, Thanks for your message and for using the KIM system! The error you list does not appear to be

10/1/19

Ryan S. Elliott2

7/30/19

kim-api-2.1.0 released!

Hello, kim-api-2.1.2 is now available. This bug-fix release repairs the kim-api-collections-

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kim-api-2.1.0 released!

Hello, kim-api-2.1.2 is now available. This bug-fix release repairs the kim-api-collections-

7/30/19

Sam Reeve, Ryan S. Elliott3

7/1/19

Simulator models

As always, thanks for the quick reply. Great to hear about the continuing plans! On Monday, July 1,

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Simulator models

As always, thanks for the quick reply. Great to hear about the continuing plans! On Monday, July 1,

7/1/19

Florian Brix, Jakob Schiøtz2

6/6/19

amp model error with kim

Dear Florian, One of my students have been trying to use the amp model. It appears to contain several

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amp model error with kim

Dear Florian, One of my students have been trying to use the amp model. It appears to contain several

6/6/19

Ryan S. Elliott

5/16/19

change to download options...

Dear KIM Community, The KIM Team has decided to change the technical details of how we make Model

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change to download options...

Dear KIM Community, The KIM Team has decided to change the technical details of how we make Model

5/16/19

Khorshidi, Alireza, Ryan S. Elliott7

4/14/19

ERROR: KIM ModelCreate failed (src/KIM/pair_kim.cpp:773)

Oh! My bad! Thanks Ryan! Everything works fine now. Thanks also for the quick response! Regards,

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ERROR: KIM ModelCreate failed (src/KIM/pair_kim.cpp:773)

Oh! My bad! Thanks Ryan! Everything works fine now. Thanks also for the quick response! Regards,

4/14/19

Ryan S. Elliott, Jakob Schiøtz3

4/3/19

kim-api-2.0.2 released!

Hi Jakob, Many thanks for the report. It turns out to be a silly typo. "refex"->"

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kim-api-2.0.2 released!

Hi Jakob, Many thanks for the report. It turns out to be a silly typo. "refex"->"

4/3/19

Jakob Schiøtz, Ryan S. Elliott4

3/13/19

Problems with CMake when building models.

Hi Jakob, Interesting.... I don't quite understand how that's all working, but if it works,

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Problems with CMake when building models.

Hi Jakob, Interesting.... I don't quite understand how that's all working, but if it works,

3/13/19

Vishnu V. Krishnan, Ryan S. Elliott6

2/21/19

fatal: not a git repository

OK, Sounds good. Cheers, Ryan On Thu, 21 Feb 2019, Vishnu V. Krishnan wrote: > That still gives me

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fatal: not a git repository

OK, Sounds good. Cheers, Ryan On Thu, 21 Feb 2019, Vishnu V. Krishnan wrote: > That still gives me

2/21/19

Daniel Schopf, Ryan S. Elliott2

2/17/19

OpenKIM pkg-config version

On Sun, 17 Feb 2019, Daniel Schopf wrote: > Hi, > > after updating to the v2.0 final release

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OpenKIM pkg-config version

On Sun, 17 Feb 2019, Daniel Schopf wrote: > Hi, > > after updating to the v2.0 final release

2/17/19

Yonatan Kurniawan, wenx...@umn.edu2

2/12/19

ase KIM calculator

Hi Yonatan, For the moment, you can find ASE that has the kim calculator at: https://gitlab.com/

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ase KIM calculator

Hi Yonatan, For the moment, you can find ASE that has the kim calculator at: https://gitlab.com/

2/12/19

Ryan S. Elliott, … karl...@umn.edu4

2/8/19

kim-api-v2-2.0.0 released!

Hi Jakob, Thanks for bringing this to our attention. This should now be fixed. Dan

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kim-api-v2-2.0.0 released!

Hi Jakob, Thanks for bringing this to our attention. This should now be fixed. Dan

2/8/19

gsw...@gmail.com, Ryan S. Elliott3

1/24/19

ERROR on proc 19: Neighbor list overflow, boost neigh_modify one

Hi Ryan, Thank you very much. The input file works fine. This model is very good. Qiang Li On

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ERROR on proc 19: Neighbor list overflow, boost neigh_modify one

Hi Ryan, Thank you very much. The input file works fine. This model is very good. Qiang Li On

1/24/19

Alireza Khorshidi, … Daniel Karls7

1/22/19

pipeline_runpair and kimitems commands not found!

Hi Yonatan, I've been waiting on the official release of KIM API v2 to publish the user

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pipeline_runpair and kimitems commands not found!

Hi Yonatan, I've been waiting on the official release of KIM API v2 to publish the user

1/22/19

Yonatan Kurniawan, Ryan S. Elliott5

1/22/19

Installing KIM package in LAMMPS

Thanks Ryan. It works! On Tuesday, January 22, 2019 at 8:14:05 AM UTC-7, relliott wrote: Hello,

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Installing KIM package in LAMMPS

Thanks Ryan. It works! On Tuesday, January 22, 2019 at 8:14:05 AM UTC-7, relliott wrote: Hello,

1/22/19

Digvijay Yadav, … krle...@gmail.com5

1/21/19

use 2NN-meam SiC potential

You can visit http://kiff.vfab.org to find the potential. Or please contact Prof. Byeong-Joo Lee at

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use 2NN-meam SiC potential

You can visit http://kiff.vfab.org to find the potential. Or please contact Prof. Byeong-Joo Lee at

1/21/19

Jakob Schiøtz, Ryan S. Elliott8

12/21/18

Test of all OpenKIM models with Asap

OK, I can now confirm the error that Jakob found using v18.0.3. In this case the example models and

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Test of all OpenKIM models with Asap

OK, I can now confirm the error that Jakob found using v18.0.3. In this case the example models and

12/21/18

12/21/18

Asap version 3.11.3 supporting OpenKIM 2.0.0.beta3 released.

Dear all, I have released Asap version 3.11.3. Asap is an extension to the Atomic Simulation

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Asap version 3.11.3 supporting OpenKIM 2.0.0.beta3 released.

Dear all, I have released Asap version 3.11.3. Asap is an extension to the Atomic Simulation

12/21/18

Jakob Schiøtz, … Ryan S. Elliott7

12/20/18

Error: "Unable to convert mass unit"

Dear Ryan, Thank you very much for the very thorough explanation, this actually makes a lot of sense.

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Error: "Unable to convert mass unit"

Dear Ryan, Thank you very much for the very thorough explanation, this actually makes a lot of sense.

12/20/18

Jakob Schiøtz, Ryan S. Elliott2

12/11/18

Documentation has vanished.

Hi Jacob, Thanks for the message. I've made a section on the kim-api page that links to the

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Documentation has vanished.

Hi Jacob, Thanks for the message. I've made a section on the kim-api page that links to the

12/11/18

Ryan S. Elliott, Jakob Schiøtz5

12/11/18

kim-api-v2-2.0.0-beta.3 released

On Mon, 10 Dec 2018, 'Jakob Schiøtz' via openkim wrote: > Hi Ryan, > > I have now

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kim-api-v2-2.0.0-beta.3 released

On Mon, 10 Dec 2018, 'Jakob Schiøtz' via openkim wrote: > Hi Ryan, > > I have now

12/11/18

Jakob Schiøtz, Daniel Karls3

12/10/18

OpenKIM Repository updated to KIM API V2

Hi Dan, Thank you very much. That did indeed fix it (patching the script manually). Best regards

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OpenKIM Repository updated to KIM API V2

Hi Dan, Thank you very much. That did indeed fix it (patching the script manually). Best regards

12/10/18

Jakob Schiøtz, Ryan S. Elliott8

12/4/18

> [ .... ] > >> The main need for this is to support backward compatibility in the case

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> [ .... ] > >> The main need for this is to support backward compatibility in the case

12/4/18

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