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fixing energy calculation. #307

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Jul 28, 2018
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fixing energy calculation. #307

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6 changes: 3 additions & 3 deletions contents/quantum_systems/code/julia/energy.jl
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Original file line number Diff line number Diff line change
@@ -1,12 +1,12 @@
# We are calculating the energy to check <Psi|H|Psi>
function calculate_energy(wfc, H_k, H_r, dx)
# Creating momentum and conjugate wavefunctions
wfc_k = fft(wfc_r)
wfc_c = conj(wfc_r)
wfc_k = fft(wfc)
wfc_c = conj(wfc)

# Finding the momentum and real-space energy terms
energy_k = wfc_c.*ifft((H_k) .* wfc_k)
energy_r = wfc_c.* H_r .* wfc_r
energy_r = wfc_c.* H_r .* wfc

# Integrating over all space
energy_final = 0
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