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Restart workflow convergence tests #11

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JPchico opened this issue Jun 19, 2023 · 0 comments
Open

Restart workflow convergence tests #11

JPchico opened this issue Jun 19, 2023 · 0 comments
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enhancement New feature or request

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@JPchico
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JPchico commented Jun 19, 2023

The restart workflow can be used to introduce convergence tests to check that the calculation has reached a ground state.

This could be added for the MC method, where one could check that the average magnetization, total energy, so on are checked so that one can see if the calculation has converged. If it has not one could then restart the calculation from the last iteration and it could be submitted again but eliminating any thermalization steps.

What do you think @MXJK851 , @anbergman ?
@JPchico JPchico added the enhancement New feature or request label Jun 19, 2023
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