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This repository has been archived by the owner on May 28, 2020. It is now read-only.

Issues: numat/RASPA2

39 Open 11 Closed
39 Open 11 Closed
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Issues list

Predicting adsorption behavior using GCMC Simulation
#57 opened May 26, 2020 by Ishan0511
1
how to write a cif file readable by RASPA
#56 opened Dec 14, 2019 by assoua
How to get a accurate Forcefield of a flexible MOFs?
#55 opened Nov 4, 2019 by Yang-LZ
how to calculate isosteric adsorption heat with RASPA?
#53 opened Oct 5, 2019 by assoua
iRASPA forum: for RASPA community
#52 opened Sep 17, 2019 by Zhaoli2042
how to run example given in git?
#51 opened Sep 17, 2019 by dzy-tju
how to import Materials to RASPA2
#50 opened Aug 31, 2019 by assoua
4
CO.def
#48 opened Aug 26, 2019 by reshujose91
1
RASPA2 Compilation with MPI
#47 opened Aug 21, 2019 by kumarvirendra
5
how to check fftw3, blas, lapack installed with raspa2
#46 opened Aug 19, 2019 by friendly0115
8
how run RASPA2
#45 opened Aug 9, 2019 by assoua
2
RASPA2 & IPython Notebook
#43 opened Feb 13, 2019 by almolsim
4
Net Charge not zero
#42 opened Nov 19, 2018 by peremiro
Results verification
#41 opened Nov 13, 2018 by mplebanski
Position x.y.z
#40 opened Nov 5, 2018 by arsgk
Could RASPA 2.0 utilizes GPU?
#39 opened Oct 16, 2018 by ppropess
GCMC problem: Extraordinarily high N2 capacity in ZIF8
#38 opened Oct 8, 2018 by kich2018
Question: Enrgy bias support
#36 opened Apr 11, 2018 by AlleksD
TraPPE forcefield file for water
#35 opened Apr 3, 2018 by AlleksD
2
How to convet cif file to cif file with P1symmetry
#34 opened Mar 22, 2018 by reshujose91
6
Markdown of your readme is slightly broken
#33 opened Feb 14, 2018 by marioa
WARNING: THERE ARE ATOM-PAIRS WITH NO VDW INTERACTION
#29 opened Apr 22, 2017 by Biswa72
1
MIL-100 and MIL-101 cif with symmetry
#25 opened Jan 27, 2017 by lorenzo91
4
No file in Output directory
#24 opened Jan 24, 2017 by cqbaoyi
5
Problem running some of the examples on mac
#23 opened Oct 7, 2016 by mholmboe
2
ProTip! Exclude everything labeled bug with -label:bug.