General

Matrix Inversion, Gauss-Jordan: Singular Matrix Problem

Started by Auri

Replies: 0
Views: 40

June 24, 2025, 11:14:23 AM
by Auri

Molfraction problem in adsorption simulation of multicomponent mixtures

Started by Sirius Black

Replies: 0
Views: 92

June 16, 2025, 01:46:33 PM
by Sirius Black

Heat of adsorption calculation problem

Started by SEB

Replies: 0
Views: 139

June 10, 2025, 05:18:41 PM
by SEB

Segmentation Fault When Creating Grids

Started by had-sham

Replies: 1
Views: 143

June 05, 2025, 12:15:49 PM
by had-sham

Error with RASPA2 with 5185 atoms model

Started by sree.h

Replies: 0
Views: 1,120

April 22, 2025, 11:50:05 AM
by sree.h

Difficulty installing iraspa

Started by kareems

Replies: 0
Views: 897

April 20, 2025, 06:05:34 PM
by kareems

Help with GCMC Simulation for Water Adsorption in MOF

Started by had-sham

Replies: 2
Views: 942

April 15, 2025, 09:01:03 AM
by Elnaz Jangodaz

Question about raspa

Started by antoine

Replies: 1
Views: 1,538

February 26, 2025, 03:52:26 PM
by David Dubbeldam

No general mixing rule but I set is L-B

Started by Jacker

Replies: 1
Views: 1,562

February 26, 2025, 03:47:11 PM
by David Dubbeldam

Parallel computing with RASPA

Started by kaoutarUM6P

Replies: 1
Views: 2,980

January 29, 2025, 07:25:12 PM
by David Dubbeldam

Monte carlo on biomolecules

Started by mms

Replies: 1
Views: 2,136

January 29, 2025, 07:23:07 PM
by David Dubbeldam

Macromolecules

Started by mms

Replies: 1
Views: 2,091

January 29, 2025, 07:21:21 PM
by David Dubbeldam

Force field issue ?

Started by ibnalsham

Replies: 1
Views: 1,765

January 29, 2025, 07:19:33 PM
by David Dubbeldam

RxMC ensemble

Started by Mohammad Ahmadi

Replies: 8
Views: 9,090

September 30, 2024, 01:52:27 PM
by dubbelda

Enthalpy of adsorption

Started by Mohammad Ahmadi

Replies: 1
Views: 4,505

September 30, 2024, 01:07:58 PM
by dubbelda

Inaccurate Adsorption Isotherms obtained for H2 Adsorption on IRMOF-1 at 77K

Started by sridhar

Replies: 1
Views: 4,675

September 30, 2024, 10:58:16 AM
by dubbelda

Single point calculation for a defined positions

Started by Sara

Replies: 1
Views: 3,303

September 30, 2024, 10:52:36 AM
by dubbelda

MM3

Started by Sara

Replies: 1
Views: 3,191

September 30, 2024, 10:49:15 AM
by dubbelda

helium void fraction

Started by alireza_hadi68

Replies: 1
Views: 4,220

September 07, 2024, 05:50:58 AM
by Lingxiao Qin

Difficult to install RASPA3 on Ubuntu 22.04

Started by Yu_Zhuochen

Replies: 0
Views: 3,356

June 20, 2024, 12:10:33 PM
by Yu_Zhuochen