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May 2019


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Table of Contents:

a basic question about openkim (2 messages)
AMP-KIM-Lammps Issue (1 message)
amp-kim: cannot install amp_model_driver (1 message)
Any Example Script For using Amp with ASE (1 message)
Bug AMP ? Undesired force calculation (5 messages)
Energy and Force RMSE Calculation in Different Versions (1 message)
Force Training Boolean Bug (3 messages)
Fortran-only fingerprinting code (3 messages)
How to turn of writing fingerprints to database (1 message)
Is there anyone who tried to do cross validation? (1 message)
Problem on using AMP force field in LAMMPS (1 message)
Question about KIM model (2 messages)
Setting the number of cores (3 messages)
Sv: Two Quick Question about Periodic Images (1 message)
Sv: Wrong use of .all() in script gaussian.py (2 messages)
Two Quick Question about Periodic Images (2 messages)
very complicating error in coding validation test (loop): "io.TextIOWrapper" (1 message)
Wrong use of .all() in script gaussian.py (5 messages)

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Subject Sorted by Subject, Chronologically

From

Date

Size

New Thread

a basic question about openkim

Re: a basic question about openkim

Khorshidi, Alireza

Mon, 13 May 2019 19:23:46 -0700

301 lines

Re: a basic question about openkim

Joonho Park

Wed, 15 May 2019 13:20:09 +0900

332 lines

New Thread

AMP-KIM-Lammps Issue

Re: AMP-KIM-Lammps Issue

Lei Li

Wed, 1 May 2019 08:49:07 -0500

472 lines

New Thread

amp-kim: cannot install amp_model_driver

Re: amp-kim: cannot install amp_model_driver

Khorshidi, Alireza

Mon, 13 May 2019 18:12:40 -0700

339 lines

New Thread

Any Example Script For using Amp with ASE

Re: Any Example Script For using Amp with ASE

Khorshidi, Alireza

Mon, 13 May 2019 18:30:43 -0700

93 lines

New Thread

Bug AMP ? Undesired force calculation

Bug AMP ? Undesired force calculation

Clabaut Paul

Tue, 28 May 2019 13:39:53 -0700

162 lines

Re: Bug AMP ? Undesired force calculation

Lei Li

Tue, 28 May 2019 16:34:53 -0500

273 lines

Re: Bug AMP ? Undesired force calculation

Clabaut Paul

Tue, 28 May 2019 15:03:34 -0700

290 lines

Re: Bug AMP ? Undesired force calculation

Lei Li

Tue, 28 May 2019 17:40:12 -0500

442 lines

Re: Bug AMP ? Undesired force calculation

Clabaut Paul

Wed, 29 May 2019 09:20:54 -0700

457 lines

New Thread

Energy and Force RMSE Calculation in Different Versions

Re: Energy and Force RMSE Calculation in Different Versions

Khorshidi, Alireza

Mon, 13 May 2019 21:24:44 -0700

1423 lines

New Thread

Force Training Boolean Bug

Re: Force Training Boolean Bug

Khorshidi, Alireza

Mon, 13 May 2019 19:00:32 -0700

173 lines

Re: Force Training Boolean Bug

Michael Joseph Waters

Tue, 14 May 2019 15:05:01 +0000

264 lines

Re: Force Training Boolean Bug

Khorshidi, Alireza

Tue, 14 May 2019 10:24:24 -0700

296 lines

New Thread

Fortran-only fingerprinting code

Re: Fortran-only fingerprinting code

Michael Joseph Waters

Wed, 15 May 2019 22:26:03 +0000

534 lines

Re: Fortran-only fingerprinting code

David Hibbitts

Mon, 20 May 2019 17:47:48 -0400

587 lines

Re: Fortran-only fingerprinting code

Michael Joseph Waters

Mon, 20 May 2019 22:34:57 +0000

657 lines

New Thread

How to turn of writing fingerprints to database

Re: How to turn of writing fingerprints to database

Khorshidi, Alireza

Mon, 13 May 2019 17:53:16 -0700

119 lines

New Thread

Is there anyone who tried to do cross validation?

Re: Is there anyone who tried to do cross validation?

Khorshidi, Alireza

Tue, 14 May 2019 10:56:55 -0700

76 lines

New Thread

Problem on using AMP force field in LAMMPS

Problem on using AMP force field in LAMMPS

Lei Li

Thu, 2 May 2019 09:47:07 -0500

4093 lines

New Thread

Question about KIM model

Question about KIM model

Lei Li

Tue, 28 May 2019 17:00:48 -0500

81 lines

Re: Question about KIM model

Khorshidi, Alireza

Fri, 31 May 2019 09:39:49 -0700

144 lines

New Thread

Setting the number of cores

Setting the number of cores

Michael Joseph Waters

Tue, 7 May 2019 22:10:02 +0000

55 lines

Re: Setting the number of cores

Joonho Park

Wed, 15 May 2019 17:18:46 +0900

87 lines

Re: Setting the number of cores

Khorshidi, Alireza

Wed, 15 May 2019 17:46:36 -0700

102 lines

New Thread

Sv: Two Quick Question about Periodic Images

Sv: Two Quick Question about Periodic Images

August Edwards Guldberg Mikkelsen

Tue, 14 May 2019 07:47:43 +0000

395 lines

New Thread

Sv: Wrong use of .all() in script gaussian.py

Sv: Wrong use of .all() in script gaussian.py

August Edwards Guldberg Mikkelsen

Fri, 17 May 2019 13:09:59 +0000

4197 lines

Sv: Wrong use of .all() in script gaussian.py

August Edwards Guldberg Mikkelsen

Sun, 19 May 2019 10:49:46 +0000

1277 lines

New Thread

Two Quick Question about Periodic Images

Re: Two Quick Question about Periodic Images

Khorshidi, Alireza

Mon, 13 May 2019 19:37:10 -0700

292 lines

Re: Two Quick Question about Periodic Images

Michael Joseph Waters

Tue, 14 May 2019 15:24:18 +0000

377 lines

New Thread

very complicating error in coding validation test (loop): "io.TextIOWrapper"

Re: very complicating error in coding validation test (loop): "io.TextIOWrapper"

Khorshidi, Alireza

Mon, 13 May 2019 17:27:27 -0700

272 lines

New Thread

Wrong use of .all() in script gaussian.py

Re: Wrong use of .all() in script gaussian.py

Khorshidi, Alireza

Wed, 15 May 2019 18:00:01 -0700

1306 lines

Re: Wrong use of .all() in script gaussian.py

Khorshidi, Alireza

Wed, 15 May 2019 23:46:41 -0700

6287 lines

Re: Wrong use of .all() in script gaussian.py

Medford, Andrew J

Fri, 17 May 2019 13:20:55 +0000

1102 lines

Re: Wrong use of .all() in script gaussian.py

Khorshidi, Alireza

Sat, 18 May 2019 20:12:59 -0700

49514 lines

Re: Wrong use of .all() in script gaussian.py

Khorshidi, Alireza

Sat, 18 May 2019 20:21:33 -0700

1662 lines

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