v0.5.7

Quiqbox v0.5.7

Diff since v0.5.6

Closed issues:

• General combinations of functions with shared parameters (#143)

Merged pull requests:

• 0.5-Performance Dev: Add more multi-threading and improve kinetic energy integrals. (#147) (@frankwswang)
• Improved integral tests. (#148) (@frankwswang)
• 0.5-IO Dev (#149) (@frankwswang)
• Only if all C0 are zeros, activate assignments. (#150) (@frankwswang)
• Improved reusing of intermediate diff vals (integrals). (#151) (@frankwswang)
• Added another multi-threading to 2-body diff cal. (#152) (@frankwswang)
• Reuse overlap eigenpairs & view of X and ∂X cols. (#153) (@frankwswang)
• 0.5-Performance Dev: Improve HF performance in edge cases (#154) (@frankwswang)
• 0.5-Optimization Dev (#155) (@frankwswang)
• 0.5-IO-Optimization Dev (#156) (@frankwswang)
• 0.5-Misc Dev (#157) (@frankwswang)
• 0.5-Misc Dev (#158) (@frankwswang)
• Fixed a printing bug. (#159) (@frankwswang)
• 0.5-HF-Misc Dev (#160) (@frankwswang)
• Opt code efficiency when thresholds disabled. (#161) (@frankwswang)
• Defined DIISresetThresholdRatio. (#162) (@frankwswang)
• Changed default val of defaultSecConvRatio. (#163) (@frankwswang)
• defaultSecConvRatio. (#164) (@frankwswang)
• Changed defaultSecConvRatio. (#165) (@frankwswang)
• Adjusted the test configuration. (#166) (@frankwswang)
• 0.5-IO-Debug Dev (#167) (@frankwswang)