ISISNeutronMuon MDMC · Discussions · GitHub

Discussions

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Papers regarding the equilibration of systems during MD simulations

iermi started May 17, 2022 in General

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Data-sets for water under various pressures could improve the functionality of MDMC or prove that the implemented things work

iermi started May 16, 2022 in Ideas

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New data-sets will be needed for different sugars

iermi started May 16, 2022 in Ideas

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trajectory formats for reading/writing

franzlang started Aug 3, 2021 in Ideas

12
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generalisation of S(Q,w) and F(Q,t) calculations

franzlang started Nov 11, 2021 in Ideas

1
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Splitting up MD testing for faster turnaround
testing add/alter test
alexhroom started Aug 9, 2021 in Ideas

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ClayFF data file

martinhp27 asked Sep 16, 2021 in Q&A · Unanswered

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Label for the Intermediate Scattering Function

Anders-Markvardsen started Jul 30, 2021 in General

6