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olivieroandreussi

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Commits on Jul 4, 2024

• Clean up of soft-sphere, removed junk from forces

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Commits on Jun 21, 2024

• Update README.md

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• Bring back parallel gather in get_dvtot

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Commits on Jun 18, 2024

• Merge remote-tracking branch 'origin/master' into develop

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• Remove parallel get_dvtot

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Commits on Jun 13, 2024

• Update release notes

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Commits on Jun 12, 2024

• Fix missing dependencies

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• Fixe bugs in getters branch

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• Merge branch 'getters' into develop

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• Merge branch 'ss-bugfix' into develop

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• Bug fix on lgcscf

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• Merge remote-tracking branch 'upstream/master' into develop

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• Merge branch 'master' into develop

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Commits on Apr 16, 2024

• Parallelize getters

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Commits on Apr 10, 2024

• Cleaned ionic boundary tools and soft-sphere boundary generation

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Commits on Jan 22, 2024

• Fix last commit

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• Update main.f90

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• Merge pull request #6 from wengmouyi/fix_potential

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Commits on Dec 8, 2023

• Add interface for passing gradient of electrons

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Commits on Nov 14, 2023

• Fix online Pseudo dir and deallocate

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Commits on Aug 4, 2020

• fixed a bug in MT correction with large cell (origin may be shifted)

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Commits on Jul 17, 2020

• fixed a bug on electrostatic forces, wrong dimension passed to init_ions_second

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Commits on Jul 16, 2020

• started debugging electrostatics, fixed external charges initialization

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Commits on Jul 15, 2020

• fixed three bugs related to mapping for systems not centered on the origin

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Commits on Jul 14, 2020

• fixed a bug with environment_cell, grid dimensions need to be initialized in environ

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Commits on Jul 12, 2020

• fixed two more bugs introduced recently, now the normal tests should all pass

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• fixed stupid bug in previous commit (wrong sign of deenviron)

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  f2c5563

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• fixed a couple of bugs and inconsistencies between system and environment, confinement works!

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• fixed origin of environment cell and write_cube

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Commits on Jul 11, 2020

• moved dfft object inside environ_cell. First attempt at utils_mapping

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Commits on Jul 10, 2020

• added a first try at mapping small cell into large cell

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Commits on Jul 7, 2020

• duplicated electrons and ions for system and environment

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Commits on Jul 2, 2020

• removed oldenviron

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• cleaned up dependence from environ_base, removed add_jellium

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• added keyword in input, created two sets of charges, cleaned up two cells

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