v22.03.1post1

Full Changelog: v22.03.1post0...v22.03.1post1

v22.03.1post0

What's Changed

• Fix: default properties list const variable typo by @unkcpz in #80
• Dump cli accept pks as argument and write to json file by @unkcpz in #81
• Fix: convergence add ref to output by @unkcpz in #82

Full Changelog: v22.03.1b1...v22.03.1post0

v22.03.1b1

Full Changelog: v22.03.1b0...v22.03.1b1

v22.03.1b0

What's Changed

• Caching: run pressure convergence as caching is it will accelarate the workflow by @unkcpz in #74
• Change control protocol to compatible quick and standard by @unkcpz in #75
• Feature/convergence/delta by @unkcpz in #77
• Add bands measure and bands convergence workflow by @unkcpz in #78
• demo script to run verification on low cutoff uplimit so can demo it by @unkcpz in #79

Full Changelog: v22.03.0b3...v22.03.1b0

v22.03.0b3

What's Changed

• Doc: getstart and tutorial by @unkcpz in #45
• Pre-commit cleanup by @unkcpz in #46
• use aiida-pseudo by @unkcpz in #48
• Legacy convergence test workflow and bands distance workflow by @unkcpz in #51
• Release/0.2.0 alpha.0 by @unkcpz in #53
• Pure python efermi by @unkcpz in #50
• Release/0.2.0 alpha.1 by @unkcpz in #54
• Main by @unkcpz in #55
• WorkChain: legacy convergence workchains are all extended from a _base WF by @unkcpz in #59
• Add pseudo parser package to parse the pseudo header by @unkcpz in #60
• Interface refactoring: command line interface and add more feature to call verification workflow by @unkcpz in #61
• Release/0.2.0 beta.0 by @unkcpz in #63
• Lanthenides workflows update to be more robust and all with magnetic turned on by @unkcpz in #67
• Convergence with magnetic for corresponding elements by @unkcpz in #65
• ♻️ Refactoring: protocol reorganize by @unkcpz in #72
• delta measure also use unaries structures by @unkcpz in #73

Full Changelog: v0.1.0...v22.03.0b3

v22.03.0b2

What's Changed

• Doc: getstart and tutorial by @unkcpz in #45
• Pre-commit cleanup by @unkcpz in #46
• use aiida-pseudo by @unkcpz in #48
• Legacy convergence test workflow and bands distance workflow by @unkcpz in #51
• Release/0.2.0 alpha.0 by @unkcpz in #53
• Pure python efermi by @unkcpz in #50
• Release/0.2.0 alpha.1 by @unkcpz in #54
• Main by @unkcpz in #55
• WorkChain: legacy convergence workchains are all extended from a _base WF by @unkcpz in #59
• Add pseudo parser package to parse the pseudo header by @unkcpz in #60
• Interface refactoring: command line interface and add more feature to call verification workflow by @unkcpz in #61
• Release/0.2.0 beta.0 by @unkcpz in #63
• Lanthenides workflows update to be more robust and all with magnetic turned on by @unkcpz in #67
• Convergence with magnetic for corresponding elements by @unkcpz in #65
• ♻️ Refactoring: protocol reorganize by @unkcpz in #72
• delta measure also use unaries structures by @unkcpz in #73

Full Changelog: v0.1.0...v22.03.0b2

v22.03.0b1

What's Changed

• Doc: getstart and tutorial by @unkcpz in #45
• Pre-commit cleanup by @unkcpz in #46
• use aiida-pseudo by @unkcpz in #48
• Legacy convergence test workflow and bands distance workflow by @unkcpz in #51
• Release/0.2.0 alpha.0 by @unkcpz in #53
• Pure python efermi by @unkcpz in #50
• Release/0.2.0 alpha.1 by @unkcpz in #54
• Main by @unkcpz in #55
• WorkChain: legacy convergence workchains are all extended from a _base WF by @unkcpz in #59
• Add pseudo parser package to parse the pseudo header by @unkcpz in #60
• Interface refactoring: command line interface and add more feature to call verification workflow by @unkcpz in #61
• Release/0.2.0 beta.0 by @unkcpz in #63
• Lanthenides workflows update to be more robust and all with magnetic turned on by @unkcpz in #67
• Convergence with magnetic for corresponding elements by @unkcpz in #65
• ♻️ Refactoring: protocol reorganize by @unkcpz in #72
• delta measure also use unaries structures by @unkcpz in #73

Full Changelog: v0.1.0...v22.03.0b1

v22.03.0b0

What's Changed

• Doc: getstart and tutorial by @unkcpz in #45
• Pre-commit cleanup by @unkcpz in #46
• use aiida-pseudo by @unkcpz in #48
• Legacy convergence test workflow and bands distance workflow by @unkcpz in #51
• Release/0.2.0 alpha.0 by @unkcpz in #53
• Pure python efermi by @unkcpz in #50
• Release/0.2.0 alpha.1 by @unkcpz in #54
• Main by @unkcpz in #55
• WorkChain: legacy convergence workchains are all extended from a _base WF by @unkcpz in #59
• Add pseudo parser package to parse the pseudo header by @unkcpz in #60
• Interface refactoring: command line interface and add more feature to call verification workflow by @unkcpz in #61
• Release/0.2.0 beta.0 by @unkcpz in #63
• Lanthenides workflows update to be more robust and all with magnetic turned on by @unkcpz in #67
• Convergence with magnetic for corresponding elements by @unkcpz in #65
• ♻️ Refactoring: protocol reorganize by @unkcpz in #72

Full Changelog: v0.1.0...v22.03.0b0

v22.03.0a3

What's Changed

• Doc: getstart and tutorial by @unkcpz in #45
• Pre-commit cleanup by @unkcpz in #46
• use aiida-pseudo by @unkcpz in #48
• Legacy convergence test workflow and bands distance workflow by @unkcpz in #51
• Release/0.2.0 alpha.0 by @unkcpz in #53
• Pure python efermi by @unkcpz in #50
• Release/0.2.0 alpha.1 by @unkcpz in #54
• Main by @unkcpz in #55
• WorkChain: legacy convergence workchains are all extended from a _base WF by @unkcpz in #59
• Add pseudo parser package to parse the pseudo header by @unkcpz in #60
• Interface refactoring: command line interface and add more feature to call verification workflow by @unkcpz in #61
• Release/0.2.0 beta.0 by @unkcpz in #63
• Lanthenides workflows update to be more robust and all with magnetic turned on by @unkcpz in #67
• Convergence with magnetic for corresponding elements by @unkcpz in #65

Full Changelog: v0.1.0...v22.03.0a3

v22.03.0a2

What's Changed

• Doc: getstart and tutorial by @unkcpz in #45
• Pre-commit cleanup by @unkcpz in #46
• use aiida-pseudo by @unkcpz in #48
• Legacy convergence test workflow and bands distance workflow by @unkcpz in #51
• Release/0.2.0 alpha.0 by @unkcpz in #53
• Pure python efermi by @unkcpz in #50
• Release/0.2.0 alpha.1 by @unkcpz in #54
• Main by @unkcpz in #55
• WorkChain: legacy convergence workchains are all extended from a _base WF by @unkcpz in #59
• Add pseudo parser package to parse the pseudo header by @unkcpz in #60
• Interface refactoring: command line interface and add more feature to call verification workflow by @unkcpz in #61
• Release/0.2.0 beta.0 by @unkcpz in #63
• Lanthenides workflows update to be more robust and all with magnetic turned on by @unkcpz in #67
• Convergence with magnetic for corresponding elements by @unkcpz in #65

Full Changelog: v0.1.0...v22.03.0a2