General

No general mixing rule but I set is L-B

Started by Jacker

Replies: 1
Views: 8,666

February 26, 2025, 03:47:11 PM
by David Dubbeldam

Parallel computing with RASPA

Started by kaoutarUM6P

Replies: 1
Views: 9,570

January 29, 2025, 07:25:12 PM
by David Dubbeldam

Using RASPA for Nanocarbons

Started by Maxim N. Popov

Replies: 1
Views: 8,730

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

Mg and K cations .def file

Started by ergrhn

Replies: 1
Views: 7,784

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

Warning: Reinsertion used on the charged ions

Started by Monica_Gao

Replies: 1
Views: 8,225

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

parameter input

Started by sfritzsche

Replies: 1
Views: 7,072

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

How to make snapshots

Started by imaeda

Replies: 1
Views: 8,497

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

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

Started by sridhar

Replies: 1
Views: 10,885

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

Defining a parametric flexible molecule in .def file

Started by gunjanauti

Replies: 1
Views: 7,757

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

Raspa on Windows

Started by OliverD

Replies: 1
Views: 6,540

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

RASPA2 Run File

Started by al2

Replies: 1
Views: 7,722

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

Parallelization of RASPA simulations with Golem

Started by nowakoww

Replies: 1
Views: 12,350

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

Enthalpy of adsorption

Started by Mohammad Ahmadi

Replies: 1
Views: 10,276

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

Segmentation Fault When Creating Grids

Started by had-sham

Replies: 1
Views: 5,642

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

Defination of absorbates in RASPA

Started by Haolong

Replies: 1
Views: 8,517

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

Question about raspa

Started by antoine

Replies: 1
Views: 7,795

February 26, 2025, 03:52:26 PM
by David Dubbeldam

Force field issue ?

Started by ibnalsham

Replies: 1
Views: 7,877

January 29, 2025, 07:19:33 PM
by David Dubbeldam

Error at run time

Started by chenglong

Replies: 1
Views: 6,847

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

iRASPA cannot display the density map

Started by John Walker

Replies: 1
Views: 7,274

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

helium void fraction

Started by alireza_hadi68

Replies: 1
Views: 10,032

September 07, 2024, 05:50:58 AM
by Lingxiao Qin