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36 lines
788 B
OCaml
36 lines
788 B
OCaml
open Lacaml.D
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open Simulation
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open Constants
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type t = Mat.t
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let make ~density simulation =
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let m_P = density
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and m_T = Lazy.force simulation.kin_ints
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and m_V = Lazy.force simulation.eN_ints
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and m_G = Lazy.force simulation.ee_ints
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in
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let nBas = Mat.dim1 m_T
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in
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let m_F = Mat.add m_T m_V in
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for sigma = 1 to nBas do
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for nu = 1 to nBas do
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for lambda = 1 to nBas do
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let p = m_P.{lambda,sigma} in
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if abs_float p > epsilon then
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for mu = 1 to nu do
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m_F.{mu,nu} <- m_F.{mu,nu} +. p *.
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(m_G.{mu,lambda,nu,sigma} -. 0.5 *. m_G.{mu,lambda,sigma,nu})
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done
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done
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done
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done;
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for nu = 1 to nBas do
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for mu = 1 to nu do
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m_F.{nu,mu} <- m_F.{mu,nu}
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done
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done;
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m_F
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