Input files and parameters

Problem with pressure calculations during adsorption

Started by Temoor

Replies: 0
Views: 1,208

April 19, 2023, 10:11:17 PM
by Temoor

pseudo_atom radii

Started by rshukre

Replies: 3
Views: 3,307

June 13, 2023, 02:09:19 PM
by David Dubbeldam

Question on how to describe ions' chemical potential

Started by Haolong

Replies: 2
Views: 2,736

February 12, 2020, 05:49:39 AM
by Haolong

Question on Pseudo_atom.def

Started by Junran Lu

Replies: 1
Views: 3,919

April 25, 2018, 05:59:16 PM
by David Dubbeldam

RandomAlSubstitution_13X

Started by rshukre

Replies: 2
Views: 2,138

September 28, 2021, 06:45:14 PM
by rshukre

Raspa taking more time

Started by shivanand

Replies: 1
Views: 2,935

September 12, 2019, 08:15:15 PM
by David Dubbeldam

RDF for adsorption

Started by mhaeri

Replies: 0
Views: 1,153

July 22, 2023, 06:31:25 PM
by mhaeri

ReturnPseudoAtomNumber Error

Started by jelco

Replies: 3
Views: 3,509

November 28, 2020, 08:21:11 PM
by David Dubbeldam

Segmentation fault (core dumped )

Started by behra

Replies: 2
Views: 2,935

March 14, 2022, 06:56:34 PM
by David Dubbeldam

setup for energy-bias GCMC?

Started by paulboone

Replies: 1
Views: 2,379

April 24, 2020, 07:41:49 PM
by David Dubbeldam

Single Point Energy Calculation?

Started by sen

Replies: 1
Views: 2,926

January 17, 2019, 04:58:36 PM
by David Dubbeldam

SLURM Script help...???

Started by monuplamoodu@yahoo.com

Replies: 1
Views: 2,585

September 11, 2020, 08:43:41 PM
by monuplamoodu@yahoo.com

Some problems on the representation of Feynman Hibbs quartic effective potential

Started by Cindy

Replies: 0
Views: 1,813

April 12, 2022, 03:25:12 AM
by Cindy

start a new simulation based on the final configuration from a previious one

Started by mhaeri

Replies: 0
Views: 1,930

January 06, 2021, 11:24:22 AM
by mhaeri

steele wall potential for wall-fluid interaction.

Started by nithin1532

Replies: 1
Views: 2,592

July 06, 2019, 04:09:22 PM
by David Dubbeldam

The flexibility of IRMOF-1

Started by zjuhjx

Replies: 3
Views: 4,016

May 14, 2018, 08:18:21 AM
by zjuhjx

The input file for the system with large numbers of atoms

Started by xiaoboy

Replies: 0
Views: 1,887

December 30, 2021, 10:15:30 AM
by xiaoboy

The usage of block_file

Started by Junran Lu

Pages1 2

Replies: 15
Views: 8,522

September 28, 2021, 06:52:03 PM
by rshukre

TIP4P model

Started by Nourissa

Replies: 1
Views: 2,083

May 27, 2022, 01:53:56 PM
by David Dubbeldam

Torsional potential with phase angle term

Started by ae213

Replies: 1
Views: 2,320

May 14, 2020, 08:05:08 PM
by David Dubbeldam