From 70ed75ad3d3a4279bf89a5375e8ba66ac70e9f8e Mon Sep 17 00:00:00 2001
From: Xavier Andrade <xavier@tddft.org>
Date: Sat, 14 Dec 2024 12:46:23 -0800
Subject: [PATCH] Removed the fourier_pseudo configuration option.

---
 src/hamiltonian/atomic_potential.hpp |  8 +-------
 src/interface/electrons.hpp          |  5 -----
 src/options/electrons.hpp            | 21 ---------------------
 3 files changed, 1 insertion(+), 33 deletions(-)

diff --git a/src/hamiltonian/atomic_potential.hpp b/src/hamiltonian/atomic_potential.hpp
index 3502b923..9bf87e2b 100644
--- a/src/hamiltonian/atomic_potential.hpp
+++ b/src/hamiltonian/atomic_potential.hpp
@@ -49,7 +49,6 @@ namespace hamiltonian {
 		std::unordered_map<std::string, pseudopotential_type> pseudopotential_list_;
 		bool has_nlcc_;
 		basis::double_grid double_grid_;
-		bool fourier_pseudo_;
 
 	public:
 
@@ -57,8 +56,7 @@ namespace hamiltonian {
 		atomic_potential(SpeciesList const & species_list, double gcutoff, options::electrons const & conf = {}):
 			sep_(0.625), //this is the default from octopus
 			default_pseudo_set_(species_list.pseudopotentials()),
-			double_grid_(conf.double_grid_value()),
-			fourier_pseudo_(conf.fourier_pseudo_value())
+			double_grid_(conf.double_grid_value())
 		{
 
 			CALI_CXX_MARK_FUNCTION;
@@ -318,10 +316,6 @@ namespace hamiltonian {
 			return double_grid_;
 		}
 
-		auto & fourier_pseudo() const {
-			return fourier_pseudo_;
-		}
-		
 	};
 
 }
diff --git a/src/interface/electrons.hpp b/src/interface/electrons.hpp
index 1963c43a..26183e52 100644
--- a/src/interface/electrons.hpp
+++ b/src/interface/electrons.hpp
@@ -164,11 +164,6 @@ the user.
 		el_opts.save(input::environment::global().comm(), ".inq/default_electrons_options");
 	}
 	
-	static void fourier_pseudo() {
-		auto el_opts = options::electrons::load(".inq/default_electrons_options").fourier_pseudo();
-		el_opts.save(input::environment::global().comm(), ".inq/default_electrons_options");
-	}
-
 	static void spin_unpolarized() {
 		auto el_opts = options::electrons::load(".inq/default_electrons_options").spin_unpolarized();
 		el_opts.save(input::environment::global().comm(), ".inq/default_electrons_options");
diff --git a/src/options/electrons.hpp b/src/options/electrons.hpp
index 065554c2..7109c336 100644
--- a/src/options/electrons.hpp
+++ b/src/options/electrons.hpp
@@ -29,7 +29,6 @@ class electrons {
 	std::optional<bool> double_grid_;	
 	std::optional<double> density_factor_;
 	std::optional<bool> spherical_grid_;
-	std::optional<bool> fourier_pseudo_;
 
 public:
 	
@@ -131,22 +130,6 @@ class electrons {
 		return density_factor_.value_or(1.0);
 	}
 
-	auto real_space_pseudo() const {
-		electrons conf = *this;
-		conf.fourier_pseudo_ = false;
-		return conf;
-	}
-
-	auto fourier_pseudo() const {
-		electrons conf = *this;
-		conf.fourier_pseudo_ = true;
-		return conf;
-	}
-		
-	auto fourier_pseudo_value() const {
-		return fourier_pseudo_.value_or(false);
-	}
-
 	void save(parallel::communicator & comm, std::string const & dirname) const {
 		auto error_message = "INQ error: Cannot save the options::electrons to directory '" + dirname + "'.";
 
@@ -158,7 +141,6 @@ class electrons {
 		utils::save_optional(comm, dirname + "/double_grid", double_grid_, error_message);
 		utils::save_optional(comm, dirname + "/density_factor", density_factor_, error_message);
 		utils::save_optional(comm, dirname + "/spherical_grid", spherical_grid_, error_message);
-		utils::save_optional(comm, dirname + "/fourier_pseudo", fourier_pseudo_, error_message);
 		utils::save_optional(comm, dirname + "/spin",           spin_,           error_message);
 		
 	}
@@ -173,7 +155,6 @@ class electrons {
 		utils::load_optional(dirname + "/double_grid", opts.double_grid_);
 		utils::load_optional(dirname + "/density_factor", opts.density_factor_);
 		utils::load_optional(dirname + "/spherical_grid", opts.spherical_grid_);
-		utils::load_optional(dirname + "/fourier_pseudo", opts.fourier_pseudo_);
 		utils::load_optional(dirname + "/spin",           opts.spin_);		
 				
 		return opts;
@@ -246,7 +227,6 @@ TEST_CASE(INQ_TEST_FILE, INQ_TEST_TAG) {
 
 	CHECK(conf.extra_states_val() == 666);
 	CHECK(conf.spacing_value() == 23.1_a);
-	CHECK(conf.fourier_pseudo_value() == false);
 	CHECK(conf.spin_val() == states::spin_config::NON_COLLINEAR);
 
 	conf.save(comm, "options_electrons_save");
@@ -254,7 +234,6 @@ TEST_CASE(INQ_TEST_FILE, INQ_TEST_TAG) {
 
 	CHECK(read_conf.extra_states_val() == 666);
 	CHECK(read_conf.spacing_value() == 23.1_a);
-	CHECK(read_conf.fourier_pseudo_value() == false);
 	CHECK(read_conf.spin_val() == states::spin_config::NON_COLLINEAR);
 	
 }