core: Header cleanup

espressomd · Sep 8, 2020 · c475c38 · c475c38
1 parent dbe96b0
commit c475c38
Show file tree

Hide file tree

Showing 10 changed files with 19 additions and 28 deletions.
diff --git a/src/core/bonded_interactions/thermalized_bond.cpp b/src/core/bonded_interactions/thermalized_bond.cpp
@@ -27,6 +27,7 @@
 #include "bonded_interaction_data.hpp"
 #include "communication.hpp"
 #include "global.hpp"
+#include "integrate.hpp"
 
 int n_thermalized_bonds = 0;
 

diff --git a/src/core/bonded_interactions/thermalized_bond.hpp b/src/core/bonded_interactions/thermalized_bond.hpp
@@ -33,7 +33,6 @@ extern int n_thermalized_bonds;
 
 #include "Particle.hpp"
 #include "bonded_interaction_data.hpp"
-#include "integrate.hpp"
 #include "random.hpp"
 #include "thermostat.hpp"
 

diff --git a/src/core/global.cpp b/src/core/global.cpp
@@ -29,6 +29,7 @@
 #include "event.hpp"
 #include "grid.hpp"
 #include "grid_based_algorithms/lb_interface.hpp"
+#include "integrate.hpp"
 #include "nonbonded_interactions/nonbonded_interaction_data.hpp"
 #include "npt.hpp"
 #include "object-in-fluid/oif_global_forces.hpp"
@@ -45,9 +46,6 @@
 #include <unordered_map>
 
 extern double force_cap;
-extern LangevinThermostat langevin;
-extern BrownianThermostat brownian;
-extern IsotropicNptThermostat npt_iso;
 
 namespace {
 

diff --git a/src/core/grid_based_algorithms/lb.cpp b/src/core/grid_based_algorithms/lb.cpp
@@ -42,10 +42,10 @@
 #include "nonbonded_interactions/nonbonded_interaction_data.hpp"
 #include "random.hpp"
 
-#include "utils/u32_to_u64.hpp"
 #include <utils/Counter.hpp>
 #include <utils/index.hpp>
 #include <utils/math/matrix_vector_product.hpp>
+#include <utils/u32_to_u64.hpp>
 #include <utils/uniform.hpp>
 using Utils::get_linear_index;
 #include <utils/constants.hpp>

diff --git a/src/core/integrate.cpp b/src/core/integrate.cpp
@@ -27,10 +27,14 @@
  */
 
 #include "integrate.hpp"
-#include "Particle.hpp"
+#include "integrators/brownian_inline.hpp"
+#include "integrators/steepest_descent.hpp"
+#include "integrators/stokesian_dynamics_inline.hpp"
+#include "integrators/velocity_verlet_inline.hpp"
+#include "integrators/velocity_verlet_npt.hpp"
+
+#include "ParticleRange.hpp"
 #include "accumulators.hpp"
-#include "bonded_interactions/bonded_interaction_data.hpp"
-#include "bonded_interactions/thermalized_bond.hpp"
 #include "cells.hpp"
 #include "collision.hpp"
 #include "communication.hpp"
@@ -51,19 +55,9 @@
 #include "thermostat.hpp"
 #include "virtual_sites.hpp"
 
-#include "integrators/brownian_inline.hpp"
-#include "integrators/steepest_descent.hpp"
-#include "integrators/stokesian_dynamics_inline.hpp"
-#include "integrators/velocity_verlet_inline.hpp"
-#include "integrators/velocity_verlet_npt.hpp"
-
 #include <profiler/profiler.hpp>
-#include <utils/Vector.hpp>
-#include <utils/constants.hpp>
 
 #include <boost/range/algorithm/min_element.hpp>
-#include <cmath>
-#include <mpi.h>
 
 #ifdef VALGRIND_INSTRUMENTATION
 #include <callgrind.h>

diff --git a/src/core/thermostat.cpp b/src/core/thermostat.cpp
@@ -23,16 +23,15 @@
  */
 #include <boost/mpi.hpp>
 
-#include <utils/u32_to_u64.hpp>
-
 #include "bonded_interactions/thermalized_bond.hpp"
 #include "communication.hpp"
 #include "dpd.hpp"
-#include "grid_based_algorithms/lb_interface.hpp"
 #include "integrate.hpp"
 #include "npt.hpp"
 #include "thermostat.hpp"
 
+#include <cstdint>
+
 int thermo_switch = THERMO_OFF;
 double temperature = 0.0;
 bool thermo_virtual = true;

diff --git a/src/core/thermostat.hpp b/src/core/thermostat.hpp
@@ -26,16 +26,14 @@
 
 #include "config.hpp"
 
-#include "Particle.hpp"
-#include "random.hpp"
 #include "rotation.hpp"
 
 #include <utils/Counter.hpp>
 #include <utils/Vector.hpp>
 
 #include <boost/optional.hpp>
 #include <cmath>
-#include <tuple>
+#include <cstdint>
 
 /** \name Thermostat switches */
 /*@{*/

diff --git a/src/core/thermostats/brownian_inline.hpp b/src/core/thermostats/brownian_inline.hpp
@@ -27,6 +27,7 @@
 #include "Particle.hpp"
 #include "particle_data.hpp"
 #include "random.hpp"
+#include "rotation.hpp"
 #include "thermostat.hpp"
 
 #include <utils/Vector.hpp>

diff --git a/src/core/thermostats/langevin_inline.hpp b/src/core/thermostats/langevin_inline.hpp
@@ -24,6 +24,7 @@
 
 #include "config.hpp"
 
+#include "Particle.hpp"
 #include "random.hpp"
 #include "thermostat.hpp"
 

diff --git a/src/core/unit_tests/thermostats_test.cpp b/src/core/unit_tests/thermostats_test.cpp
@@ -22,10 +22,6 @@
 #define BOOST_TEST_MODULE Thermostats test
 #define BOOST_TEST_DYN_LINK
 #include <boost/test/unit_test.hpp>
-#include <cmath>
-#include <limits>
-
-#include <utils/Vector.hpp>
 
 #include "Particle.hpp"
 #include "random_test.hpp"
@@ -34,7 +30,11 @@
 #include "thermostats/langevin_inline.hpp"
 #include "thermostats/npt_inline.hpp"
 
+#include <utils/Vector.hpp>
+
 #include <array>
+#include <cmath>
+#include <limits>
 
 // multiply by 100 because BOOST_CHECK_CLOSE takes a percentage tolerance,
 // and by 6 to account for error accumulation in thermostat functions