General

Single point calculation for a defined positions

Started by Sara

Replies: 1
Views: 18,445

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

MM3

Started by Sara

Replies: 1
Views: 17,363

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

helium void fraction

Started by alireza_hadi68

Replies: 1
Views: 19,650

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: 15,661

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

iRASPA cannot display the density map

Started by John Walker

Replies: 1
Views: 15,612

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

Defining a parametric flexible molecule in .def file

Started by gunjanauti

Replies: 1
Views: 15,366

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

The name of RASPA

Started by sara abbasi

Replies: 0
Views: 13,512

March 18, 2024, 08:07:55 PM
by sara abbasi

Installation on ubuntu

Started by Aleksandr Volkov

Replies: 0
Views: 13,586

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

Can anyone recommend some literatures about GCMC simulation？

Started by WuJH

Replies: 0
Views: 13,278

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

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

Started by kokojiang

Replies: 0
Views: 13,711

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

Inquiry regarding RASPA calculations -Chemical potential and Number of molecules

Started by Temoor

Replies: 0
Views: 14,340

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

Quantitative density profile in a small pore.

Started by Temoor

Replies: 0
Views: 13,859

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: 13,925

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

Inquiry regarding reconvening a run

Started by saif

Replies: 1
Views: 15,255

June 24, 2023, 08:46:18 AM
by kokojiang

Atomization energies in partition function for charged systems

Started by w_wonder

Replies: 1
Views: 18,838

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

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

Started by Yu_Zhuochen

Replies: 1
Views: 19,373

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

radial distribution function

Started by kokojiang

Replies: 1
Views: 16,690

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

Error loading VTK output and lack of H on methane

Started by sundberg

Replies: 3
Views: 20,103

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

About the relation between Paritition and LnPartition for NH3

Started by w_wonder

Replies: 7
Views: 33,757

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

How the partition function for propene in the RASPA manual was obtained?

Started by w_wonder

Replies: 1
Views: 16,865

June 13, 2023, 12:50:29 PM
by David Dubbeldam