General

How to eliminate the boundary effect in GEMC simulations?

Started by Jianbo

Replies: 3
Views: 8,110

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

Atomization energies in partition function for charged systems

Started by w_wonder

Replies: 1
Views: 8,092

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

How to run the Gibbs ensemble MC simulation of 3 boxes

Started by imaeda

Replies: 3
Views: 7,779

November 03, 2021, 08:43:14 AM
by David Dubbeldam

Problem with pressure calculations during adsorption

Started by Temoor

Replies: 2
Views: 7,761

June 13, 2023, 12:47:02 PM
by David Dubbeldam

Using RASPA for Nanocarbons

Started by Maxim N. Popov

Replies: 1
Views: 7,740

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

Enthalpy of adsorption

Started by Mohammad Ahmadi

Replies: 1
Views: 7,652

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

Grid potentials for mobile cations in MC/GCMC simulations

Started by AHF

Replies: 2
Views: 7,640

October 05, 2021, 07:08:43 PM
by AHF

helium void fraction

Started by alireza_hadi68

Replies: 1
Views: 7,635

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

radial distribution function

Started by kokojiang

Replies: 1
Views: 7,450

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

Irreproducible Partial Charges uing Qeq method

Started by AHF

Replies: 2
Views: 7,435

June 22, 2021, 06:24:08 PM
by AHF

NPT-Flexible framework

Started by isaaraujo

Replies: 2
Views: 7,399

December 01, 2021, 04:29:31 PM
by isaaraujo

Surface area of MgMOF-74

Started by imaeda

Replies: 1
Views: 7,392

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

Run RASPA using MPI

Started by manuelbenavent

Replies: 1
Views: 7,392

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

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

Started by w_wonder

Replies: 1
Views: 7,367

June 13, 2023, 12:50:29 PM
by David Dubbeldam

Defination of absorbates in RASPA

Started by Haolong

Replies: 1
Views: 7,338

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

Problems installing on Ubuntu

Started by heitorabreu

Replies: 3
Views: 7,334

July 13, 2021, 03:56:57 AM
by etbandung

Running RASPA2 with Python Scripts

Started by Busra

Replies: 1
Views: 7,275

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

How to make snapshots

Started by imaeda

Replies: 1
Views: 7,261

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

High-Pressure Simulations

Started by SierraEcho

Replies: 2
Views: 7,249

July 29, 2021, 02:40:33 PM
by SierraEcho

Warning: Reinsertion used on the charged ions

Started by Monica_Gao

Replies: 1
Views: 7,227

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