Output files

Energy landscape

Started by brjeon

Replies: 1
Views: 4,269

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

ENERGY DRIFT

Started by Daqiang

Replies: 7
Views: 11,925

April 10, 2024, 12:28:49 AM
by neumannrf

Regarding Non-Basic/Gibbs_CO2 example

Started by don

Replies: 4
Views: 5,448

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

Abnormal atoms position output when Stiffness is smaller than 1

Started by Haolong

Replies: 1
Views: 4,583

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

The absorption of ions stuck at a certain number

Started by Haolong

Replies: 3
Views: 5,913

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

Exactly the same output from different simulations

Started by Haolong

Replies: 1
Views: 5,229

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

Vapor density by NVT-GEMC

Started by Jianbo

Replies: 3
Views: 6,131

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

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

Started by joannewanghf

Replies: 2
Views: 5,319

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

Excess adsorption

Started by Junran Lu

Replies: 5
Views: 8,394

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

Question on "Randomlysubstitute"

Started by Junran Lu

Replies: 0
Views: 5,292

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

absoulte and excess adsorption

Started by Junran Lu

Replies: 0
Views: 2,484

May 24, 2024, 04:09:26 AM
by Junran Lu

MSD calculation

Started by Junran Lu

Replies: 5
Views: 9,828

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

atom-pairs with no VDW interaction(s)

Started by lifesmiel

Replies: 6
Views: 12,328

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

Inconsistency Between Results in Restart and Output Files

Started by Lingxiao Qin

Replies: 0
Views: 3,339

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

Output file in CIF format = MOFs + guests

Started by mikhail

Replies: 1
Views: 4,484

March 06, 2021, 06:27:09 PM
by David Dubbeldam

Shift all potential

Started by Monica_Gao

Replies: 1
Views: 4,741

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

Histograms produced by raspa

Started by Mozhdeh

Replies: 1
Views: 5,566

August 31, 2019, 07:42:21 PM
by David Dubbeldam

different adsorption isotherms compare to literature

Started by Mozhdeh

Replies: 4
Views: 6,891

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

heat of adsorption method in GCMC

Started by Nourissa

Replies: 1
Views: 3,939

December 23, 2023, 04:34:20 AM
by dddD

output - molcules/unit cell - IMPORTANT

Started by Nourissa

Replies: 1
Views: 4,804

May 27, 2022, 01:55:58 PM
by David Dubbeldam