General

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

Mg and K cations .def file

Started by ergrhn

Replies: 1
Views: 10,055

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

Running RASPA2 with Python Scripts

Started by Busra

Replies: 1
Views: 10,291

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

Enthalpy of adsorption

Started by Mohammad Ahmadi

Replies: 1
Views: 14,622

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: 14,852

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

Enthalpy of adsorption for binary mixture

Started by AHF

Replies: 1
Views: 10,729

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

parameter input

Started by sfritzsche

Replies: 1
Views: 8,893

June 08, 2021, 02:36:34 PM
by David Dubbeldam

Parallelization of RASPA simulations with Golem

Started by nowakoww

Replies: 1
Views: 14,463

January 25, 2019, 03:59:37 PM
by nowakoww

Warning: Reinsertion used on the charged ions

Started by Monica_Gao

Replies: 1
Views: 10,532

January 07, 2021, 08:02:11 PM
by David Dubbeldam

net charge warning

Started by Monica_Gao

Replies: 1
Views: 12,356

July 14, 2020, 12:51:32 PM
by dubbelda

Raspa on Windows

Started by OliverD

Replies: 1
Views: 8,305

May 05, 2021, 01:46:40 PM
by David Dubbeldam

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

Started by w_wonder

Replies: 1
Views: 11,500

June 13, 2023, 12:50:29 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: 13,205

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

Run RASPA using MPI

Started by manuelbenavent

Replies: 1
Views: 10,714

August 20, 2020, 12:13:30 PM
by dubbelda

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

Surface area of MgMOF-74

Started by imaeda

Replies: 1
Views: 11,358

August 20, 2020, 12:04:39 PM
by dubbelda

radial distribution function

Started by kokojiang

Replies: 1
Views: 11,439

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

Atomization energies in partition function for charged systems

Started by w_wonder

Replies: 1
Views: 12,842

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

Error at run time

Started by chenglong

Replies: 1
Views: 8,964

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

Using RASPA for Nanocarbons

Started by Maxim N. Popov

Replies: 1
Views: 10,731

July 06, 2019, 04:36:59 PM
by David Dubbeldam