Merge branch 'main' of github.com:FrederikLizakJohansen/DebyeCalculat…

…orGPU into main
FrederikLizakJohansen · Sep 16, 2023 · 486b461 · 486b461
2 parents 0a88f9f + 82e34ca
commit 486b461
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diff --git a/paper/paper.md b/paper/paper.md
@@ -93,9 +93,9 @@ The choice of GPU hardware has a substantial influence on this speed advantage.
 
 # Statement of need
 
-Several software packages already exist for simulating the Debye scattering equation, including DiffPy-CMI,[@juhas2015complex] debyer,[@debyer] Debussy,[@cervellino2010debussy; @cervellino2015debussy] TOPAS,[@coelho2018topas] and BCL::SAXS.[@putnam2015bcl] Our software distinguishes itself in several ways. Firstly, it is freely available and open-source licensed under the Apache License 2.0. Moreover, it is conveniently implemented as a ‘pip’ install package and has been integrated with Google Colab[https://github.com/FrederikLizakJohansen/DebyeCalculatorGPU/blob/main/quickstart/QuickStart.ipynb], allowing users to rapidly calculate the Debye scattering equation without the need of local software installations. DebyeCalculator can be run on both CPU, GPU and through an interactive interface (see \autoref{fig:Figure2}), where users can calculate I(Q), S(Q), F(Q) and G(r) from structural models with one click.
+Several software packages already exist for simulating the Debye scattering equation, including DiffPy-CMI,[@juhas2015complex] debyer,[@debyer] Debussy,[@cervellino2010debussy; @cervellino2015debussy] TOPAS,[@coelho2018topas] and BCL::SAXS.[@putnam2015bcl] Our software distinguishes itself in several ways. Firstly, it is freely available and open-source licensed under the Apache License 2.0. Moreover, it is conveniently implemented as a ‘pip’ install package and has been integrated with Google Colab[https://github.com/FrederikLizakJohansen/DebyeCalculatorGPU/blob/main/quickstart/QuickStart.ipynb], allowing users to rapidly calculate the Debye scattering equation without the need of local software installations. DebyeCalculator can be run on both CPU, GPU and through an interactive interface (see \autoref{fig:figure2}), where users can calculate I(Q), S(Q), F(Q) and G(r) from structural models with one click.
 
-![The interact mode of DebyeCalculator provides a one-click interface, where user can update parameters and visualise I(Q), S(Q), F(Q) and G(r). Additionally, the I(Q), S(Q), F(Q), G(r) and xyz-file can be downloaded, including metadata.\label{fig:Figure2}](../figures/Figure2.png)
+![The interact mode of DebyeCalculator provides a one-click interface, where user can update parameters and visualise I(Q), S(Q), F(Q) and G(r). Additionally, the I(Q), S(Q), F(Q), G(r) and xyz-file can be downloaded, including metadata.\label{fig:figure2}](../figures/figure2.png)
 
 # Acknowledgements