Code

Update/pressure#40

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Merged

srmnitc merged 21 commits intomasterICAMS/calphy:masterfrom update/pressureICAMS/calphy:update/pressureCopy head branch name to clipboardAug 11, 2022

+800-360

Commits

Commits on Aug 5, 2022

• Add new files to gitignore

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  54ff9be

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• change pressure backend

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• split berendsen equilbration stages

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• improve berendsen at non zero pressures

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• simplify berendsen routine

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Commits on Aug 8, 2022

• restructure solid routines

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• restructure more methods

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• update and add more tests

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• change damping input to array

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• update phase

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Commits on Aug 10, 2022

• restructure liquid code

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Commits on Aug 11, 2022

• add melting cycle key

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• add option to skip melting cycle

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• add option to skip melting cycl

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• bug fix in thermostat damping

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• add adaptive selection of thermostat and barostat

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• bug fix in solids

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• update key read for thermo and baro stat customisation

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• update docs

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• improve logging

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• Bump version: 1.0.4 → 1.1.0

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