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Input parameters for ab initio molecular dynamics simulations of water at non-ambient pressure and temperature using the CP2K code

This deposit consists of a readme file, which describes the file 'simulationinput.in'. This is a simple text file that contains the information necessary to run any of the ab initio molecular...

Water Body RNAGS Weaver Gowy

Water body reasons for not achieving good status (RNAGS) identify the pressures that are impacting the status classification of water bodies. Reasons for deterioration (RFDs) identify the...

Water Body RNAGS Avon Warwickshire

Water body reasons for not achieving good status (RNAGS) identify the pressures that are impacting the status classification of water bodies. Reasons for deterioration (RFDs) identify the...

Water Body RNAGS Thames AWB

Water body reasons for not achieving good status (RNAGS) identify the pressures that are impacting the status classification of water bodies. Reasons for deterioration (RFDs) identify the...

Water Body RNAGS Humber TraC

Water body reasons for not achieving good status (RNAGS) identify the pressures that are impacting the status classification of water bodies. Reasons for deterioration (RFDs) identify the...

Water Body RNAGS Swale, Ure, Nidd and Upper Ouse

Water body reasons for not achieving good status (RNAGS) identify the pressures that are impacting the status classification of water bodies. Reasons for deterioration (RFDs) identify the...

Water Body RNAGS West Cornwall and the Fal

Water body reasons for not achieving good status (RNAGS) identify the pressures that are impacting the status classification of water bodies. Reasons for deterioration (RFDs) identify the...

Water Body RNAGS Maidenhead and Sunbury

Water body reasons for not achieving good status (RNAGS) identify the pressures that are impacting the status classification of water bodies. Reasons for deterioration (RFDs) identify the...

Water Body RNAGS North Cornwall, Seaton, Looe and Fowey

Water body reasons for not achieving good status (RNAGS) identify the pressures that are impacting the status classification of water bodies. Reasons for deterioration (RFDs) identify the...

Water Body RNAGS Wharfe and Lower Ouse

Water body reasons for not achieving good status (RNAGS) identify the pressures that are impacting the status classification of water bodies. Reasons for deterioration (RFDs) identify the...

Water Body RNAGS Severn England AWB

Water body reasons for not achieving good status (RNAGS) identify the pressures that are impacting the status classification of water bodies. Reasons for deterioration (RFDs) identify the...

Water Body RNAGS Severn River Basin District

Water body reasons for not achieving good status (RNAGS) identify the pressures that are impacting the status classification of water bodies. Reasons for deterioration (RFDs) identify the...

Water Body RNAGS Severn England TraC

Water body reasons for not achieving good status (RNAGS) identify the pressures that are impacting the status classification of water bodies. Reasons for deterioration (RFDs) identify the...

Water Body RNAGS Tamar

Water body reasons for not achieving good status (RNAGS) identify the pressures that are impacting the status classification of water bodies. Reasons for deterioration (RFDs) identify the...

Water Body RNAGS South West Lakes

Water body reasons for not achieving good status (RNAGS) identify the pressures that are impacting the status classification of water bodies. Reasons for deterioration (RFDs) identify the...

Water Body RNAGS Severn Uplands GW

Water body reasons for not achieving good status (RNAGS) identify the pressures that are impacting the status classification of water bodies. Reasons for deterioration (RFDs) identify the...

Water Body RNAGS Irwell

Water body reasons for not achieving good status (RNAGS) identify the pressures that are impacting the status classification of water bodies. Reasons for deterioration (RFDs) identify the...

Water Body RNAGS Mole

Water body reasons for not achieving good status (RNAGS) identify the pressures that are impacting the status classification of water bodies. Reasons for deterioration (RFDs) identify the...

Water Body RNAGS North West River Basin District

Water body reasons for not achieving good status (RNAGS) identify the pressures that are impacting the status classification of water bodies. Reasons for deterioration (RFDs) identify the...

Water Body RNAGS Idle and Torne

Water body reasons for not achieving good status (RNAGS) identify the pressures that are impacting the status classification of water bodies. Reasons for deterioration (RFDs) identify the...