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fix

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This commit is contained in:
陈浩南
2024-12-03 19:11:48 +08:00
parent 0c073b73b5
commit 6e64054ffc
1 changed files with 4 additions and 5 deletions
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9
src/project-to-mode.cpp
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@@ -29,7 +29,7 @@ void ufo::project_to_mode(std::string config_file)
.SubQpoint = input.Super.Qpoint[config.SuperQpointIndex].SubQpoint[config.SubQpointIndex],
.PrimativeQpoint = input.Primative.Qpoint[config.PrimativeQpointIndex].Qpoint,
.Coefficient = std::vector<std::vector<double>>(input.Super.Qpoint[config.SuperQpointIndex].Mode.size(),
std::vector<double>(input.Primative.Qpoint[config.PrimativeQpointIndex].Mode.size(), 0))
std::vector<double>(input.Primative.Qpoint[config.PrimativeQpointIndex].Mode.size()))
};
if ((output.SubQpoint - output.PrimativeQpoint).norm() > 0.01)
log.error("sub qpoint {} != primative qpoint {}"_f(output.SubQpoint, output.PrimativeQpoint));
@@ -99,7 +99,7 @@ void ufo::project_to_mode(std::string config_file)
| ranges::views::transform([&](const auto& mode)
{
return primative_basis
| ranges::views::transform([&](const auto& basis) -> std::array<std::complex<double>, 3>
| ranges::views::transform([&](const auto& basis)
{ return (basis.transpose().conjugate() * mode.EigenVector).eval() | biu::fromEigen; })
| ranges::to_vector
| biu::toEigen<>;
@@ -121,9 +121,8 @@ void ufo::project_to_mode(std::string config_file)
{
for (auto [i_of_primative_mode, primative_mode]
: ranges::views::enumerate(primative_projection_coefficient))
for (auto i_of_direction : std::array{0, 1, 2})
output.Coefficient[i_of_super_mode][i_of_primative_mode] +=
(super_mode.col(i_of_direction).transpose().conjugate() * primative_mode.col(i_of_direction)).norm();
output.Coefficient[i_of_super_mode][i_of_primative_mode] =
std::norm((super_mode.transpose().conjugate() * primative_mode).trace());
auto sum = ranges::accumulate(output.Coefficient[i_of_super_mode], 0.);
for (auto& coefficient : output.Coefficient[i_of_super_mode])
coefficient *=