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Predicting adsorption behavior using GCMC Simulation

Status: Open.

#57 In numat/RASPA2;

· Ishan0511 opened on May 26, 2020

how to write a cif file readable by RASPA

Status: Open.

#56 In numat/RASPA2;

· assoua opened on Dec 14, 2019

How to get a accurate Forcefield of a flexible MOFs?

Status: Open.

#55 In numat/RASPA2;

· Yang-LZ opened on Nov 4, 2019

how to calculate isosteric adsorption heat with RASPA?

Status: Open.

#53 In numat/RASPA2;

· assoua opened on Oct 5, 2019

iRASPA forum: for RASPA community

Status: Open.

#52 In numat/RASPA2;

· Zhaoli2042 opened on Sep 17, 2019

how to run example given in git?

Status: Open.

#51 In numat/RASPA2;

· dzy-tju opened on Sep 17, 2019

how to import Materials to RASPA2

Status: Open.

#50 In numat/RASPA2;

· assoua opened on Aug 31, 2019

CO.def

Status: Open.

#48 In numat/RASPA2;

· reshujose91 opened on Aug 26, 2019

RASPA2 Compilation with MPI

Status: Open.

#47 In numat/RASPA2;

· kumarvirendra opened on Aug 21, 2019

how to check fftw3, blas, lapack installed with raspa2

Status: Open.

#46 In numat/RASPA2;

· friendly0115 opened on Aug 19, 2019

how run RASPA2

Status: Open.

#45 In numat/RASPA2;

· assoua opened on Aug 9, 2019

RASPA2 & IPython Notebook

Status: Open.

#43 In numat/RASPA2;

· almolsim opened on Feb 13, 2019