Karthik 201e4a39c6 Added script to calculate VDK without cutoff for determining optical unit cell size

2025-03-14 01:38:42 +01:00

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calculateChemicalPotential.m

Adapted elements from a different working version of the solver from Wyatt - minor changes such as replacing trapz with sum and a few others to make the versions similar.

2024-11-30 08:26:12 +01:00

calculateNormalizedResiduals.m

Adapted elements from a different working version of the solver from Wyatt - minor changes such as replacing trapz with sum and a few others to make the versions similar.

2024-11-30 08:26:12 +01:00

calculateTotalEnergy.m

Adapted elements from a different working version of the solver from Wyatt - minor changes such as replacing trapz with sum and a few others to make the versions similar.

2024-11-30 08:26:12 +01:00

calculateVariationalEnergy.m

Adapted elements from a different working version of the solver from Wyatt - minor changes such as replacing trapz with sum and a few others to make the versions similar.

2024-11-30 08:26:12 +01:00

calculateVDkWithCutoff.m

Latest working version - fixed issue of bounds not being properly defined for fmincon.

2025-01-20 01:11:03 +01:00

calculateVDkWithoutCutoff.m

Added script to calculate VDK without cutoff for determining optical unit cell size

2025-03-14 01:38:42 +01:00

Calculator.m

Renamed folders for Variational method, BdG solvers.

2024-11-14 15:40:24 +01:00