General

list of configurational moves in .def file

Started by ae213

Replies: 2
Views: 11,136

June 23, 2022, 06:17:44 PM
by ae213

PSD of Zeolitic systems with mobile cations

Started by AHF

Replies: 0
Views: 8,730

November 26, 2021, 07:06:10 PM
by AHF

Irreproducible Partial Charges uing Qeq method

Started by AHF

Replies: 2
Views: 9,696

June 22, 2021, 06:24:08 PM
by AHF

Grid potentials for mobile cations in MC/GCMC simulations

Started by AHF

Replies: 2
Views: 10,470

October 05, 2021, 07:08:43 PM
by AHF

Enthalpy of adsorption for binary mixture

Started by AHF

Replies: 1
Views: 9,910

March 14, 2022, 07:13:39 PM
by David Dubbeldam

RASPA2 Run File

Started by al2

Replies: 1
Views: 9,343

August 31, 2021, 08:31:21 PM
by David Dubbeldam

Installation on ubuntu

Started by Aleksandr Volkov

Replies: 0
Views: 8,155

March 09, 2024, 11:48:36 AM
by Aleksandr Volkov

Phase state in MC simulation of grand canonical ensemble

Started by alexam

Replies: 1
Views: 9,160

September 25, 2022, 05:58:14 PM
by David Dubbeldam

helium void fraction

Started by alireza_hadi68

Replies: 1
Views: 12,625

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

RASPA Simulations Directory not Found

Started by amogh

Replies: 7
Views: 18,650

September 28, 2021, 07:31:24 PM
by amogh

Question about raspa

Started by antoine

Replies: 1
Views: 10,773

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

Matrix Inversion, Gauss-Jordan: Singular Matrix Problem

Started by Auri

Replies: 0
Views: 9,172

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

Henrys Constant output

Started by bphan

Replies: 0
Views: 8,943

June 23, 2022, 07:46:06 PM
by bphan

Running RASPA2 with Python Scripts

Started by Busra

Replies: 1
Views: 9,477

August 20, 2020, 12:09:36 PM
by David Dubbeldam

Error at run time

Started by chenglong

Replies: 1
Views: 8,125

May 21, 2021, 06:47:00 PM
by David Dubbeldam

Density Histogram from GCMC simulation for four-component gasmixture adsorption

Started by Cigdem

Replies: 0
Views: 8,426

August 16, 2023, 08:32:36 AM
by Cigdem

ForceField Parameter for Carbon

Started by cud

Replies: 2
Views: 8,944

March 06, 2021, 11:01:15 PM
by cud

Cation Doping to a Structure and then Calculate Adsorption of Hydrogen

Started by cud

Replies: 1
Views: 9,666

March 01, 2020, 09:42:36 AM
by David Dubbeldam

Mg and K cations .def file

Started by ergrhn

Replies: 1
Views: 9,183

May 26, 2020, 05:57:06 PM
by David Dubbeldam

Very beginner question

Started by extremesonic01

Replies: 2
Views: 11,868

June 13, 2023, 12:40:19 PM
by David Dubbeldam