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raspa2

NO LONGER UPDATED. Use the official repository.

https://github.com/numat/raspa2

Science Score: 33.0%

This score indicates how likely this project is to be science-related based on various indicators:

  • ○
    CITATION.cff file
  • ○
    codemeta.json file
  • ○
    .zenodo.json file
  • ✓
    DOI references
    Found 3 DOI reference(s) in README
  • ✓
    Academic publication links
    Links to: wiley.com
  • ✓
    Committers with academic emails
    4 of 6 committers (66.7%) from academic institutions
  • ○
    Institutional organization owner
  • ○
    JOSS paper metadata
  • ○
    Scientific vocabulary similarity
    Low similarity (4.3%) to scientific vocabulary
Last synced: 10 months ago · JSON representation

Repository

NO LONGER UPDATED. Use the official repository.

Basic Info
Statistics
  • Stars: 84
  • Watchers: 40
  • Forks: 70
  • Open Issues: 39
  • Releases: 0
Archived
Created almost 13 years ago · Last pushed about 6 years ago
Metadata Files
Readme Changelog License

README 

RASPA 2014 (version 2.0)
========================

This software is a general purpose classical simulation package. It has been developed at
Northwestern University (Evanston, USA) during 2006-2011 in active collaboration 
with University Pablo de Olavide (Seville, Spain), and the Technical University of Delft.

It can be used for the simulation of molecules in gases, fluids, zeolites, aluminosilicates,
metal-organic frameworks, carbon nanotubes and external fields.

Refs:
=====
1) D. Dubbeldam, S. Calero, D.E. Ellis, and R.Q. Snurr, "RASPA: Molecular Simulation Software for Adsorption and Diffusion in Flexible Nanoporous Materials",
   Mol. Sim., 2014.
2) D. Dubbeldam, A. Torres-Knoop, and K.S. Walton,  "On the Inner Workings of Monte Carlo Codes", 
   Mol. Sim. (special issue on Monte Carlo) 39(14-15), 1253-1292, 2013.
   http://www.tandfonline.com/doi/full/10.1080/08927022.2013.819102
3) D. Dubbeldam and R.Q. Snurr, "Recent developments in the molecular modeling of diffusion in nanoporous materials", 
   Mol. Sim., 33 (4-5), 305-325, 2007.
   http://www.tandfonline.com/doi/abs/10.1080/08927020601156418
4) D. Dubbeldam, K.S. Walton, T.J.H. Vlugt, and S. Calero, "Design, Parameterization, and Implementation of Atomic Force Fields for Adsorption in Nanoporous Materials",
   Adv. Theory Simulat., 2(11), 1900135, 2019.
   https://onlinelibrary.wiley.com/doi/full/10.1002/adts.201900135

Owner

  • Name: Numat Technologies
  • Login: numat
  • Kind: organization
  • Email: info@numat.com
  • Location: Chicago, IL

Re-imagining how the world stores, separates, and transports gases.

GitHub Events

Total
  • Watch event: 6
  • Member event: 1
  • Fork event: 1
Last Year
  • Watch event: 6
  • Member event: 1
  • Fork event: 1

Committers

Last synced: over 2 years ago

All Time
  • Total Commits: 84
  • Total Committers: 6
  • Avg Commits per committer: 14.0
  • Development Distribution Score (DDS): 0.357
Past Year
  • Commits: 0
  • Committers: 0
  • Avg Commits per committer: 0.0
  • Development Distribution Score (DDS): 0.0
Top Committers
Name Email Commits
David Dubbeldam d****m@u****l 54
David Dubbeldam D****m@u****l 21
Patrick Fuller p****r@g****m 5
Ozgur Yazaydin o****n@u****k 2
Nakul Rampal n****l@b****u 1
Yongchul Gregory Chung n****t@d****e 1
Committer Domains (Top 20 + Academic)
uva.nl: 2 dhcp-10-101-132-67.wireless.northwestern.private: 1 berkeley.edu: 1 ucl.ac.uk: 1

Issues and Pull Requests

Last synced: 12 months ago

All Time
  • Total issues: 50
  • Total pull requests: 7
  • Average time to close issues: 6 days
  • Average time to close pull requests: 26 days
  • Total issue authors: 30
  • Total pull request authors: 4
  • Average comments per issue: 1.52
  • Average comments per pull request: 0.71
  • Merged pull requests: 7
  • Bot issues: 0
  • Bot pull requests: 0
Past Year
  • Issues: 0
  • Pull requests: 0
  • Average time to close issues: N/A
  • Average time to close pull requests: N/A
  • Issue authors: 0
  • Pull request authors: 0
  • Average comments per issue: 0
  • Average comments per pull request: 0
  • Merged pull requests: 0
  • Bot issues: 0
  • Bot pull requests: 0
View more stats
Top Authors
Issue Authors
  • patrickfuller (13)
  • assoua (5)
  • reshujose91 (2)
  • JasonMick (2)
  • AlleksD (2)
  • headhuanglan (2)
  • mplebanski (1)
  • pufopc (1)
  • marioa (1)
  • quantumcoyote (1)
  • Ishan0511 (1)
  • ppropess (1)
  • kumarvirendra (1)
  • MaciejStrzempek (1)
  • Yang-LZ (1)
Pull Request Authors
  • vargaslo (3)
  • remseven (2)
  • ycolon (1)
  • EfremBraun (1)
Top Labels
Issue Labels
enhancement (8) bug (3) question (1)
Pull Request Labels

Packages

  • Total packages: 1
  • Total downloads:
    • pypi 39 last-month
  • Total dependent packages: 0
  • Total dependent repositories: 1
  • Total versions: 5
  • Total maintainers: 1
pypi.org: raspa2

A general purpose classical simulation package.

  • Versions: 5
  • Dependent Packages: 0
  • Dependent Repositories: 1
  • Downloads: 39 Last month
Rankings
Forks count: 5.2%
Stargazers count: 8.1%
Dependent packages count: 10.0%
Average: 12.9%
Downloads: 19.4%
Dependent repos count: 21.7%
Maintainers (1)
patrickfuller
Last synced: 10 months ago