diff --git a/src/core/bonded_interactions/thermalized_bond.cpp b/src/core/bonded_interactions/thermalized_bond.cpp index 9edee390954..3776c34362d 100644 --- 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 index 56b3eadd5f7..fd67417a76e 100644 --- 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 index 907ac71bb7c..55681ff0e7a 100644 --- 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 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 index b431853e47a..d59c706b0c1 100644 --- 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 #include #include +#include #include using Utils::get_linear_index; #include diff --git a/src/core/integrate.cpp b/src/core/integrate.cpp index 6b97079b401..abe4003308c 100644 --- 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 -#include -#include #include -#include -#include #ifdef VALGRIND_INSTRUMENTATION #include diff --git a/src/core/thermostat.cpp b/src/core/thermostat.cpp index c635432336b..e6693e255e2 100644 --- a/src/core/thermostat.cpp +++ b/src/core/thermostat.cpp @@ -23,16 +23,15 @@ */ #include -#include - #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 + 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 index c58a7316de9..579e2e05a1e 100644 --- a/src/core/thermostat.hpp +++ b/src/core/thermostat.hpp @@ -26,8 +26,6 @@ #include "config.hpp" -#include "Particle.hpp" -#include "random.hpp" #include "rotation.hpp" #include @@ -35,7 +33,7 @@ #include #include -#include +#include /** \name Thermostat switches */ /*@{*/ diff --git a/src/core/thermostats/brownian_inline.hpp b/src/core/thermostats/brownian_inline.hpp index 1280f308ef7..ddadebc5d30 100644 --- 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 diff --git a/src/core/thermostats/langevin_inline.hpp b/src/core/thermostats/langevin_inline.hpp index cdd0a1e9c2b..29c36399f14 100644 --- 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 index a105d1fb81b..2c330b2c291 100644 --- 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 -#include -#include - -#include #include "Particle.hpp" #include "random_test.hpp" @@ -34,7 +30,11 @@ #include "thermostats/langevin_inline.hpp" #include "thermostats/npt_inline.hpp" +#include + #include +#include +#include // multiply by 100 because BOOST_CHECK_CLOSE takes a percentage tolerance, // and by 6 to account for error accumulation in thermostat functions