General

Enthalpy of adsorption for binary mixture

Started by AHF

Replies: 1
Views: 4,318

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

net charge warning

Started by Monica_Gao

Replies: 1
Views: 5,670

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

Enthalpy of adsorption

Started by Mohammad Ahmadi

Replies: 1
Views: 3,747

September 30, 2024, 01:07:58 PM
by dubbelda

RASPA2 Run File

Started by al2

Replies: 1
Views: 4,225

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

Warning: Reinsertion used on the charged ions

Started by Monica_Gao

Replies: 1
Views: 4,448

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

Running RASPA2 with Python Scripts

Started by Busra

Replies: 1
Views: 4,712

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

Parallelization of RASPA simulations with Golem

Started by nowakoww

Replies: 1
Views: 8,683

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

Use RestartInitial’ to re-compute VTK file

Started by jimmy

Replies: 1
Views: 3,960

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

Phase state in MC simulation of grand canonical ensemble

Started by alexam

Replies: 1
Views: 4,165

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

How to make snapshots

Started by imaeda

Replies: 1
Views: 4,588

October 20, 2020, 06:54:17 PM
by David Dubbeldam

Mg and K cations .def file

Started by ergrhn

Replies: 1
Views: 4,488

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

Inaccurate Adsorption Isotherms obtained for H2 Adsorption on IRMOF-1 at 77K

Started by sridhar

Replies: 1
Views: 3,870

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

Atomization energies in partition function for charged systems

Started by w_wonder

Replies: 1
Views: 4,316

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

Run RASPA using MPI

Started by manuelbenavent

Replies: 1
Views: 4,721

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

Using RASPA for Nanocarbons

Started by Maxim N. Popov

Replies: 1
Views: 5,467

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

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

Started by w_wonder

Replies: 1
Views: 4,301

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: 4,319

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

Surface area of MgMOF-74

Started by imaeda

Replies: 1
Views: 4,517

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

error message on restart after crash

Started by virginia314

Replies: 1
Views: 3,898

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

radial distribution function

Started by kokojiang

Replies: 1
Views: 4,291

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