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September 2018


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Table of Contents:

AMP fortran used in ASE calculation? (9 messages)
AMP not using all CPU cores requested. (4 messages)
AMP training DFT forces & energies as actual forces (11 messages)
APS March Meeting 2019's Focus Section about Machine Learning, Emerging Trends in Molecular Dynamics Simulations (1 message)
bispectrum descriptors, local variable 'cutoff_fxn' (13 messages)
Fast and Parallelized Amp in LAMMPS (1 message)
How to avoid large force residuals in AMP (3 messages)
predict forces without using LAMMPS (4 messages)
Sv: AMP not using all CPU cores requested. (3 messages)
You have a problem with auto-documentation (2 messages)

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New Thread

AMP fortran used in ASE calculation?

AMP fortran used in ASE calculation?

David Small

Fri, 7 Sep 2018 16:27:27 -0400

47 lines

Re: AMP fortran used in ASE calculation?

Peterson, Andrew

Mon, 10 Sep 2018 12:55:58 -0400

172 lines

Re: AMP fortran used in ASE calculation?

El Khatib Rodriguez, Muammar

Tue, 11 Sep 2018 10:11:39 -0400

45 lines

Re: AMP fortran used in ASE calculation?

David Small

Thu, 13 Sep 2018 22:13:44 -0400

15 lines

Re: AMP fortran used in ASE calculation?

David Small

Thu, 13 Sep 2018 22:19:50 -0400

18 lines

Re: AMP fortran used in ASE calculation?

El Khatib Rodriguez, Muammar

Thu, 13 Sep 2018 22:24:41 -0400

43 lines

Re: AMP fortran used in ASE calculation?

David Small

Thu, 20 Sep 2018 22:02:33 -0400

153 lines

Re: AMP fortran used in ASE calculation?

Duy Le

Thu, 20 Sep 2018 23:27:30 -0400

319 lines

Re: AMP fortran used in ASE calculation?

El Khatib Rodriguez, Muammar

Fri, 21 Sep 2018 11:50:59 -0400

69 lines

New Thread

AMP not using all CPU cores requested.

AMP not using all CPU cores requested.

August Edwards Guldberg Mikkelsen

Tue, 11 Sep 2018 10:46:23 +0000

5854 lines

Re: AMP not using all CPU cores requested.

Peterson, Andrew

Tue, 11 Sep 2018 10:32:56 -0400

540 lines

Re: AMP not using all CPU cores requested.

Peterson, Andrew

Mon, 24 Sep 2018 14:15:23 -0400

785 lines

Re: AMP not using all CPU cores requested.

Peterson, Andrew

Mon, 24 Sep 2018 15:04:04 -0400

916 lines

New Thread

AMP training DFT forces & energies as actual forces

AMP training DFT forces & energies as actual forces

Yunsheng Liu

Wed, 5 Sep 2018 19:53:08 -0400

19 lines

Re: AMP training DFT forces & energies as actual forces

Peterson, Andrew

Thu, 6 Sep 2018 13:06:29 -0400

77 lines

Re: AMP training DFT forces & energies as actual forces

Yunsheng Liu

Thu, 6 Sep 2018 13:37:42 -0400

20 lines

Re: AMP training DFT forces & energies as actual forces

El Khatib Rodriguez, Muammar

Thu, 6 Sep 2018 13:37:58 -0400

51 lines

Re: AMP training DFT forces & energies as actual forces

Yunsheng Liu

Fri, 7 Sep 2018 14:47:29 -0400

29 lines

Re: AMP training DFT forces & energies as actual forces

Duy Le

Fri, 7 Sep 2018 15:26:49 -0400

73 lines

Re: AMP training DFT forces & energies as actual forces

Peterson, Andrew

Fri, 7 Sep 2018 15:32:59 -0400

120 lines

Re: AMP training DFT forces & energies as actual forces

Yunsheng Liu

Mon, 10 Sep 2018 12:13:54 -0400

19 lines

Re: AMP training DFT forces & energies as actual forces

Yunsheng Liu

Mon, 10 Sep 2018 12:22:49 -0400

21 lines

Re: AMP training DFT forces & energies as actual forces

Peterson, Andrew

Mon, 10 Sep 2018 12:33:30 -0400

77 lines

Re: AMP training DFT forces & energies as actual forces

El Khatib Rodriguez, Muammar

Mon, 10 Sep 2018 12:38:29 -0400

44 lines

New Thread

APS March Meeting 2019's Focus Section about Machine Learning, Emerging Trends in Molecular Dynamics Simulations

APS March Meeting 2019's Focus Section about Machine Learning, Emerging Trends in Molecular Dynamics Simulations

Duy Le

Tue, 25 Sep 2018 22:08:13 -0400

103 lines

New Thread

bispectrum descriptors, local variable 'cutoff_fxn'

bispectrum descriptors, local variable 'cutoff_fxn'

Yunsheng Liu

Mon, 24 Sep 2018 13:52:40 -0400

22 lines

Re: bispectrum descriptors, local variable 'cutoff_fxn'

El Khatib Rodriguez, Muammar

Mon, 24 Sep 2018 13:56:44 -0400

36 lines

Re: bispectrum descriptors, local variable 'cutoff_fxn'

Yunsheng Liu

Mon, 24 Sep 2018 13:59:56 -0400

41 lines

Re: bispectrum descriptors, local variable 'cutoff_fxn'

El Khatib Rodriguez, Muammar

Mon, 24 Sep 2018 14:05:44 -0400

44 lines

Re: bispectrum descriptors, local variable 'cutoff_fxn'

Yunsheng Liu

Mon, 24 Sep 2018 14:08:25 -0400

21 lines

Re: bispectrum descriptors, local variable 'cutoff_fxn'

Yunsheng Liu

Mon, 24 Sep 2018 14:20:00 -0400

26 lines

Re: bispectrum descriptors, local variable 'cutoff_fxn'

El Khatib Rodriguez, Muammar

Mon, 24 Sep 2018 14:22:04 -0400

36 lines

Re: bispectrum descriptors, local variable 'cutoff_fxn'

El Khatib Rodriguez, Muammar

Mon, 24 Sep 2018 14:25:30 -0400

34 lines

Re: bispectrum descriptors, local variable 'cutoff_fxn'

Yunsheng Liu

Mon, 24 Sep 2018 14:28:26 -0400

23 lines

Re: bispectrum descriptors, local variable 'cutoff_fxn'

El Khatib Rodriguez, Muammar

Mon, 24 Sep 2018 14:31:33 -0400

38 lines

Re: bispectrum descriptors, local variable 'cutoff_fxn'

Yunsheng Liu

Tue, 25 Sep 2018 10:13:54 -0400

52 lines

Re: bispectrum descriptors, local variable 'cutoff_fxn'

El Khatib Rodriguez, Muammar

Tue, 25 Sep 2018 10:22:46 -0400

38 lines

Re: bispectrum descriptors, local variable 'cutoff_fxn'

Yunsheng Liu

Tue, 25 Sep 2018 10:26:08 -0400

12 lines

New Thread

Fast and Parallelized Amp in LAMMPS

Re: Fast and Parallelized Amp in LAMMPS

Efrem Braun

Sat, 1 Sep 2018 22:10:01 +0300

11115 lines

New Thread

How to avoid large force residuals in AMP

How to avoid large force residuals in AMP

August Edwards Guldberg Mikkelsen

Thu, 27 Sep 2018 11:52:41 +0000

290 lines

Re: How to avoid large force residuals in AMP

Duy Le

Thu, 27 Sep 2018 10:02:20 -0400

388 lines

Re: How to avoid large force residuals in AMP

Peterson, Andrew

Fri, 28 Sep 2018 12:32:28 -0400

532 lines

New Thread

predict forces without using LAMMPS

predict forces without using LAMMPS

hasan babaei

Tue, 25 Sep 2018 15:15:42 -0400

30 lines

Re: predict forces without using LAMMPS

Peterson, Andrew

Tue, 25 Sep 2018 16:43:47 -0400

99 lines

Re: predict forces without using LAMMPS

hasan babaei

Tue, 25 Sep 2018 16:53:43 -0400

129 lines

Re: predict forces without using LAMMPS

Duy Le

Tue, 25 Sep 2018 20:41:26 -0400

145 lines

New Thread

Sv: AMP not using all CPU cores requested.

Sv: AMP not using all CPU cores requested.

August Edwards Guldberg Mikkelsen

Fri, 14 Sep 2018 13:36:37 +0000

10607 lines

Sv: AMP not using all CPU cores requested.

August Edwards Guldberg Mikkelsen

Mon, 24 Sep 2018 08:55:11 +0000

1753 lines

Sv: AMP not using all CPU cores requested.

August Edwards Guldberg Mikkelsen

Mon, 24 Sep 2018 18:21:44 +0000

822 lines

New Thread

You have a problem with auto-documentation

You have a problem with auto-documentation

Eyal Oren

Thu, 20 Sep 2018 05:22:08 -0400

14 lines

Re: You have a problem with auto-documentation

Peterson, Andrew

Fri, 21 Sep 2018 07:28:49 -0400

65 lines

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