Output files

ENERGY DRIFT

Started by Daqiang

Replies: 9
Views: 50,307

October 24, 2025, 07:57:24 PM
by cmoralesd

atom-pairs with no VDW interaction(s)

Started by lifesmiel

Replies: 6
Views: 36,674

April 03, 2018, 06:54:47 PM
by lifesmiel

MSD calculation

Started by Junran Lu

Replies: 5
Views: 29,748

May 29, 2018, 11:06:19 AM
by Junran Lu

Excess adsorption

Started by Junran Lu

Replies: 5
Views: 28,961

April 24, 2020, 07:34:21 PM
by David Dubbeldam

Enthalpy of adsorption "nan"

Started by zjuhjx

Replies: 3
Views: 25,532

August 31, 2023, 09:34:41 AM
by chenyaxin

Vapor density by NVT-GEMC

Started by Jianbo

Replies: 3
Views: 25,028

September 25, 2020, 12:26:22 PM
by David Dubbeldam

The absorption of ions stuck at a certain number

Started by Haolong

Replies: 3
Views: 24,941

October 23, 2020, 03:28:43 PM
by Haolong

different adsorption isotherms compare to literature

Started by Mozhdeh

Replies: 4
Views: 23,483

July 24, 2019, 02:14:18 PM
by David Dubbeldam

Regarding Non-Basic/Gibbs_CO2 example

Started by don

Replies: 4
Views: 23,291

July 24, 2021, 04:17:23 AM
by Fan Honglei

Inconsistency Between Results in Restart and Output Files

Started by Lingxiao Qin

Replies: 0
Views: 22,912

September 08, 2024, 03:17:48 AM
by Lingxiao Qin

Exactly the same output from different simulations

Started by Haolong

Replies: 1
Views: 21,044

September 25, 2020, 12:05:18 PM
by David Dubbeldam

Error: malloc(): corrupted top size

Started by omarove

Replies: 2
Views: 20,874

July 27, 2021, 10:39:35 AM
by omarove

Reg H2 adsorption in zeolites

Started by vgd_127

Replies: 2
Views: 20,826

November 13, 2021, 07:50:51 PM
by vgd_127

WARNING: ENERGY DRIFT (INTERNAL CONSISTENCY ERROR IN THE CODE)

Started by joannewanghf

Replies: 2
Views: 20,705

January 13, 2021, 06:55:16 PM
by David Dubbeldam

Shift all potential

Started by Monica_Gao

Replies: 1
Views: 19,886

May 21, 2021, 06:50:13 PM
by David Dubbeldam

Abnormal atoms position output when Stiffness is smaller than 1

Started by Haolong

Replies: 1
Views: 19,709

June 08, 2021, 02:08:36 PM
by David Dubbeldam

RDFs output folder in MD simulations

Started by had-sham

Replies: 0
Views: 19,455

October 26, 2025, 03:52:21 PM
by had-sham

Question on "Randomlysubstitute"

Started by Junran Lu

Replies: 0
Views: 19,362

April 26, 2018, 08:42:51 AM
by Junran Lu

Energy landscape

Started by brjeon

Replies: 1
Views: 19,310

April 18, 2022, 07:56:22 PM
by David Dubbeldam

Calculation of self-diffusion coefficients using MD simulations

Started by rain

Replies: 1
Views: 18,716

August 11, 2021, 08:33:11 AM
by David Dubbeldam