General

The Tail-Correction in RASPA

Started by fjoodaki

Replies: 2
Views: 38,378

March 02, 2021, 12:55:11 AM
by fjoodaki

Warning: Reinsertion used on the charged ions

Started by Monica_Gao

Replies: 1
Views: 37,487

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

Issue with ExtraFrameworkMolecule

Started by Kajum Safiullin

Replies: 2
Views: 40,141

December 25, 2020, 11:41:41 AM
by Kajum Safiullin

How to eliminate the boundary effect in GEMC simulations?

Started by Jianbo

Replies: 3
Views: 43,860

December 23, 2020, 09:20:53 PM
by David Dubbeldam

Grids and Memory Usage

Started by patrickmelix

Replies: 6
Views: 60,705

November 17, 2020, 01:08:28 PM
by patrickmelix

How to make snapshots

Started by imaeda

Replies: 1
Views: 37,044

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

Defination of absorbates in RASPA

Started by Haolong

Replies: 1
Views: 37,551

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

error run simulate

Started by moondog

Replies: 3
Views: 43,865

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

Run RASPA using MPI

Started by manuelbenavent

Replies: 1
Views: 40,553

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

Running RASPA2 with Python Scripts

Started by Busra

Replies: 1
Views: 36,350

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

Surface area of MgMOF-74

Started by imaeda

Replies: 1
Views: 40,869

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

net charge warning

Started by Monica_Gao

Replies: 1
Views: 40,167

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

Mg and K cations .def file

Started by ergrhn

Replies: 1
Views: 35,585

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

Cation Doping to a Structure and then Calculate Adsorption of Hydrogen

Started by cud

Replies: 1
Views: 36,317

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

How to define cations positon from CIF but hold its "cation attribute" in RASPA

Started by ykz

Replies: 3
Views: 49,204

January 16, 2020, 06:15:21 PM
by David Dubbeldam

Flexible-MOFs forcefield Issue

Started by YangLZ

Replies: 4
Views: 44,877

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

Using RASPA for Nanocarbons

Started by Maxim N. Popov

Replies: 1
Views: 36,544

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

Parallelization of RASPA simulations with Golem

Started by nowakoww

Replies: 1
Views: 42,200

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

GCMC results not exactly matching with literature

Started by Vardhan

Replies: 2
Views: 42,069

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

'CrashRestart' taking long time

Started by Vardhan

Replies: 5
Views: 54,806

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