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Update README.md
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Zhaoli2042 authored Dec 13, 2024
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Expand Up @@ -36,9 +36,10 @@ A detailed installation note for gRASPA on CentOS/Ubuntu 24.04 is documented in
* also available in [Chinese](https://zhaoli2042.github.io/gRASPA-mkdoc/Chinese)
* a doxygen documentation is also available @ https://zhaoli2042.github.io/gRASPA
## Reference
* gRASPA paper is now [online](https://pubs.acs.org/doi/10.1021/acs.jctc.4c01058). Please kindly cite it if you find it useful.
* Li, Shi, Dubbeldam, Dewing, Knight, Vázquez-Mayagoitia, Snurr, "Efficient Implementation of Monte Carlo Algorithms on Graphical Processing Units for Simulation of Adsorption in Porous Materials", _J. Chem. Theory Comput_. 2024, 20, 23, 10649–10666
* DOI: 10.1021/acs.jctc.4c01058
* gRASPA paper is now published. Please kindly cite it if you find it useful.
* Li, Shi, Dubbeldam, Dewing, Knight, Vázquez-Mayagoitia, Snurr,
"Efficient Implementation of Monte Carlo Algorithms on Graphical Processing Units for Simulation of Adsorption in Porous Materials", _J. Chem. Theory Comput_. 2024, 20, 23, 10649–10666
* DOI: [10.1021/acs.jctc.4c01058](https://pubs.acs.org/doi/10.1021/acs.jctc.4c01058)
* Also, please give our repository a :star: if our code helps!
## Table of Code Capabilities
| Functionalities | gRASPA | gRASPA-fast | gRASPA-HTC |
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