General

radial distribution function

Started by kokojiang

Replies: 1
Views: 1,947

June 13, 2023, 01:58:25 PM
by David Dubbeldam

'CrashRestart' taking long time

Started by Vardhan

Replies: 5
Views: 6,752

December 04, 2018, 10:18:32 AM
by David Dubbeldam

About Atoms named xx+number in cif File which cannot be read by RASPA.

Started by Yu_Zhuochen

Replies: 1
Views: 1,917

June 13, 2023, 02:02:28 PM
by David Dubbeldam

About the relation between Paritition and LnPartition for NH3

Started by w_wonder

Replies: 7
Views: 3,544

June 13, 2023, 12:52:23 PM
by David Dubbeldam

about the Torsion in molecule.def file

Started by raspa666

Replies: 4
Views: 1,721

June 12, 2023, 12:35:05 PM
by raspa666

Atomization energies in partition function for charged systems

Started by w_wonder

Replies: 1
Views: 1,950

June 13, 2023, 02:11:06 PM
by David Dubbeldam

Can anyone recommend some literatures about GCMC simulation？

Started by WuJH

Replies: 0
Views: 1,465

December 21, 2023, 04:03:29 PM
by WuJH

Cation Doping to a Structure and then Calculate Adsorption of Hydrogen

Started by cud

Replies: 1
Views: 3,020

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

Defination of absorbates in RASPA

Started by Haolong

Replies: 1
Views: 2,866

September 25, 2020, 11:49:55 AM
by David Dubbeldam

Defining a parametric flexible molecule in .def file

Started by gunjanauti

Replies: 1
Views: 1,660

May 25, 2024, 12:03:29 PM
by iwanchemist

Density Histogram from GCMC simulation for four-component gasmixture adsorption

Started by Cigdem

Replies: 0
Views: 1,633

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

Difficult to install RASPA3 on Ubuntu 22.04

Started by Yu_Zhuochen

Replies: 0
Views: 459

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

Energy Drift - Cations

Started by isaaraujo

Replies: 0
Views: 2,470

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

Enthalpy of adsorption for binary mixture

Started by AHF

Replies: 1
Views: 2,681

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

Error at run time

Started by chenglong

Replies: 1
Views: 2,456

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

Error loading VTK output and lack of H on methane

Started by sundberg

Replies: 3
Views: 3,359

June 13, 2023, 01:02:20 PM
by David Dubbeldam

error run simulate

Started by moondog

Replies: 3
Views: 4,193

September 25, 2020, 11:46:35 AM
by David Dubbeldam

Flexible-MOFs forcefield Issue

Started by YangLZ

Replies: 4
Views: 4,322

January 16, 2020, 06:13:10 PM
by David Dubbeldam

ForceField Parameter for Carbon

Started by cud

Replies: 2
Views: 2,528

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

GCMC results not exactly matching with literature

Started by Vardhan

Replies: 2
Views: 4,388

December 04, 2018, 11:49:26 AM
by Vardhan