General

How to eliminate the boundary effect in GEMC simulations?

Started by Jianbo

Replies: 3
Views: 37,485

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

Grids and Memory Usage

Started by patrickmelix

Replies: 6
Views: 50,567

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

How to make snapshots

Started by imaeda

Replies: 1
Views: 32,808

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

Defination of absorbates in RASPA

Started by Haolong

Replies: 1
Views: 33,247

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

error run simulate

Started by moondog

Replies: 3
Views: 37,752

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

Run RASPA using MPI

Started by manuelbenavent

Replies: 1
Views: 35,607

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

Running RASPA2 with Python Scripts

Started by Busra

Replies: 1
Views: 31,877

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

Surface area of MgMOF-74

Started by imaeda

Replies: 1
Views: 35,884

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

net charge warning

Started by Monica_Gao

Replies: 1
Views: 35,665

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

Mg and K cations .def file

Started by ergrhn

Replies: 1
Views: 31,165

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: 31,978

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: 42,211

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

Flexible-MOFs forcefield Issue

Started by YangLZ

Replies: 4
Views: 37,512

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

Using RASPA for Nanocarbons

Started by Maxim N. Popov

Replies: 1
Views: 31,852

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

Parallelization of RASPA simulations with Golem

Started by nowakoww

Replies: 1
Views: 36,878

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

GCMC results not exactly matching with literature

Started by Vardhan

Replies: 2
Views: 36,300

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

'CrashRestart' taking long time

Started by Vardhan

Replies: 5
Views: 46,451

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

Issue with the forcefield

Started by sridhar

Replies: 3
Views: 42,826

September 21, 2018, 05:44:04 PM
by David Dubbeldam