General

iRASPA cannot display the density map

Started by John Walker

Replies: 1
Views: 10,117

June 10, 2024, 10:23:58 AM
by Lingxiao Qin

Mg and K cations .def file

Started by ergrhn

Replies: 1
Views: 10,055

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

Phase state in MC simulation of grand canonical ensemble

Started by alexam

Replies: 1
Views: 10,019

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

Segmentation Fault When Creating Grids

Started by had-sham

Replies: 1
Views: 9,989

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

GCMC vs MCNPT

Started by mhaeri

Replies: 1
Views: 9,877

June 13, 2023, 12:45:10 PM
by David Dubbeldam

Problems installing on Ubuntu

Started by heitorabreu

Replies: 3
Views: 9,853

July 13, 2021, 03:56:57 AM
by etbandung

Henrys Constant output

Started by bphan

Replies: 0
Views: 9,770

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

Energy Drift - Cations

Started by isaaraujo

Replies: 0
Views: 9,767

January 08, 2022, 09:52:04 AM
by isaaraujo

ForceField Parameter for Carbon

Started by cud

Replies: 2
Views: 9,755

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

NPT Simulations

Started by isaaraujo

Replies: 1
Views: 9,678

December 02, 2021, 10:48:39 AM
by David Dubbeldam

PSD of Zeolitic systems with mobile cations

Started by AHF

Replies: 0
Views: 9,597

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

Inquiry regarding RASPA calculations -Chemical potential and Number of molecules

Started by Temoor

Replies: 0
Views: 9,587

September 28, 2023, 06:26:45 PM
by Temoor

Use RestartInitial’ to re-compute VTK file

Started by jimmy

Replies: 1
Views: 9,521

November 03, 2021, 08:39:00 AM
by David Dubbeldam

The difference between PMF/PT-MC and setting each MF/Temperature GCMC job

Started by jimmy

Replies: 2
Views: 9,447

May 05, 2021, 02:11:54 PM
by David Dubbeldam

error message on restart after crash

Started by virginia314

Replies: 1
Views: 9,395

January 11, 2023, 08:08:05 PM
by David Dubbeldam

The Tail-Correction in RASPA

Started by fjoodaki

Replies: 2
Views: 9,329

March 02, 2021, 12:55:11 AM
by fjoodaki

Quantitative density profile in a small pore.

Started by Temoor

Replies: 0
Views: 9,195

September 14, 2023, 07:34:10 PM
by Temoor

Density Histogram from GCMC simulation for four-component gasmixture adsorption

Started by Cigdem

Replies: 0
Views: 9,193

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

Heat of adsorption calculation problem

Started by SEB

Replies: 0
Views: 9,069

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

How to change the atom index in the CIF.file to the format that Raspa can read ?

Started by kokojiang

Replies: 0
Views: 9,048

October 24, 2023, 06:56:23 AM
by kokojiang