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Computational chemistry: Difference between revisions
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=== Notes on installed software === <!--T:4--> | === Notes on installed software === <!--T:4--> | ||
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Following is a survey of the resources available for high-accuracy computational chemistry. Bear in mind however that the distinction is artificial and many tools are applicable to both biological and non-biological systems. | Following is a survey of the resources available for high-accuracy computational chemistry. Bear in mind however that the distinction is artificial and many tools are applicable to both biological and non-biological systems. | ||
==== Applications ==== <!--T:5--> | ==== Applications ==== <!--T:5--> | ||
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* [https://www.abinit.org/ Abinit] | * [https://www.abinit.org/ Abinit] | ||
* [http://www.cp2k.org/ CP2K] | * [http://www.cp2k.org/ CP2K] | ||
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An automatically generated list of versions installed on Compute Canada systems can be found in [[Available software]]. | An automatically generated list of versions installed on Compute Canada systems can be found in [[Available software]]. | ||