Added Quick Lyman-alpha cooling and chemistry model

configure.ac

@@ -1443,7 +1443,7 @@ AC_SUBST([NUMA_INCS])
 # As an example for this, see the call to AC_ARG_WITH for cooling.
 AC_ARG_WITH([subgrid],
 	[AS_HELP_STRING([--with-subgrid=<subgrid>],
-		[Master switch for subgrid methods. Inexperienced user should start from here @<:@none, GEAR, EAGLE default: none@:>@]
+		[Master switch for subgrid methods. Inexperienced user should start here. Options are: @<:@none, GEAR, QLA, EAGLE default: none@:>@]
 	)],
 	[with_subgrid="$withval"],
 	[with_subgrid=none]
@@ -1478,6 +1478,18 @@ case "$with_subgrid" in
 	with_subgrid_task_order=none
 	enable_fof=no
    ;;
+   QLA)
+	with_subgrid_cooling=QLA
+	with_subgrid_chemistry=QLA
+	with_subgrid_tracers=none
+	with_subgrid_entropy_floor=QLA
+	with_subgrid_stars=none
+	with_subgrid_star_formation=QLA
+	with_subgrid_feedback=none
+	with_subgrid_black_holes=none
+	with_subgrid_task_order=default
+	enable_fof=no
+   ;;
    EAGLE)
 	with_subgrid_cooling=EAGLE
 	with_subgrid_chemistry=EAGLE
@@ -1810,6 +1822,9 @@ case "$with_cooling" in
       primordial_chemistry=${with_cooling:8}
       AC_DEFINE_UNQUOTED([COOLING_GRACKLE_MODE], [$primordial_chemistry], [Grackle chemistry network])
    ;;
+   QLA)
+      AC_DEFINE([COOLING_QLA], [1], [Cooling following the Quick-Lyman-alpha model])
+   ;;
    EAGLE)
       AC_DEFINE([COOLING_EAGLE], [1], [Cooling following the EAGLE model])
    ;;
@@ -1845,6 +1860,9 @@ case "$with_chemistry" in
       number_element=${with_chemistry:5}
       AC_DEFINE_UNQUOTED([GEAR_CHEMISTRY_ELEMENT_COUNT], [$number_element], [Number of element to follow])
    ;;
+   QLA)
+      AC_DEFINE([CHEMISTRY_QLA], [1], [Chemistry taken from the Quick-Lyman-alpha model])
+   ;;
    EAGLE)
       AC_DEFINE([CHEMISTRY_EAGLE], [1], [Chemistry taken from the EAGLE model])
    ;;
@@ -2083,6 +2101,9 @@ case "$with_entropy_floor" in
    none)
       AC_DEFINE([ENTROPY_FLOOR_NONE], [1], [No entropy floor])
    ;;
+   QLA)
+      AC_DEFINE([ENTROPY_FLOOR_QLA], [1], [Quick Lyman-alpha entropy floor])
+   ;;
    EAGLE)
       AC_DEFINE([ENTROPY_FLOOR_EAGLE], [1], [EAGLE entropy floor])
    ;;
@@ -2140,6 +2161,9 @@ case "$with_star_formation" in
    none)
       AC_DEFINE([STAR_FORMATION_NONE], [1], [No star formation])
    ;;
+   QLA)
+      AC_DEFINE([STAR_FORMATION_QLA], [1], [Quick Lyman-alpha star formation model)])
+   ;;
    EAGLE)
       AC_DEFINE([STAR_FORMATION_EAGLE], [1], [EAGLE star formation model (Schaye and Dalla Vecchia (2008))])
    ;;
@@ -2180,6 +2204,9 @@ AC_SUBST([GIT_CMD])
 DX_INIT_DOXYGEN(libswift,doc/Doxyfile,doc/)
 AM_CONDITIONAL([HAVE_DOXYGEN], [test "$ac_cv_path_ac_pt_DX_DOXYGEN" != ""])
 
+# Check if using QLA cooling
+AM_CONDITIONAL([HAVEQLACOOLING], [test $with_cooling = "QLA"])
+
 # Check if using EAGLE cooling
 AM_CONDITIONAL([HAVEEAGLECOOLING], [test $with_cooling = "EAGLE"])
 

src/Makefile.am

@@ -59,6 +59,12 @@ include_HEADERS = space.h runner.h queue.h task.h lock.h cell.h part.h const.h \
     black_holes.h black_holes_io.h black_holes_properties.h black_holes_struct.h \
     feedback.h feedback_struct.h feedback_properties.h task_order.h
 
+# source files for EAGLE cooling
+QLA_COOLING_SOURCES =
+if HAVEQLACOOLING
+QLA_COOLING_SOURCES += cooling/QLA/cooling.c cooling/QLA/cooling_tables.c
+endif
+
 # source files for EAGLE cooling
 EAGLE_COOLING_SOURCES =
 if HAVEEAGLECOOLING
@@ -102,6 +108,7 @@ AM_SOURCES = space.c runner_main.c runner_doiact_hydro.c runner_doiact_limiter.c
     chemistry.c cosmology.c restart.c mesh_gravity.c velociraptor_interface.c \
     outputlist.c velociraptor_dummy.c logger_io.c memuse.c mpiuse.c memuse_rnodes.c fof.c \
     hashmap.c pressure_floor.c \
+    $(QLA_COOLING_SOURCES) \
     $(EAGLE_COOLING_SOURCES) $(EAGLE_FEEDBACK_SOURCES) \
     $(GRACKLE_COOLING_SOURCES) $(GEAR_FEEDBACK_SOURCES)
 
@@ -222,6 +229,8 @@ nobase_noinst_HEADERS = align.h approx_math.h atomic.h barrier.h cycle.h error.h
                  cooling/grackle/cooling_io.h \
 		 cooling/EAGLE/cooling.h cooling/EAGLE/cooling_struct.h cooling/EAGLE/cooling_tables.h \
                  cooling/EAGLE/cooling_io.h cooling/EAGLE/interpolate.h cooling/EAGLE/cooling_rates.h \
+		 cooling/QLA/cooling.h cooling/QLA/cooling_struct.h cooling/QLA/cooling_tables.h \
+                 cooling/QLA/cooling_io.h cooling/QLA/interpolate.h cooling/QLA/cooling_rates.h \
                  chemistry/none/chemistry.h \
 		 chemistry/none/chemistry_io.h \
 		 chemistry/none/chemistry_struct.h \
@@ -234,6 +243,10 @@ nobase_noinst_HEADERS = align.h approx_math.h atomic.h barrier.h cycle.h error.h
 		 chemistry/EAGLE/chemistry_io.h \
 		 chemistry/EAGLE/chemistry_struct.h\
 		 chemistry/EAGLE/chemistry_iact.h \
+                 chemistry/QLA/chemistry.h \
+		 chemistry/QLA/chemistry_io.h \
+		 chemistry/QLA/chemistry_struct.h\
+		 chemistry/QLA/chemistry_iact.h \
 	         entropy_floor/none/entropy_floor.h \
                  entropy_floor/EAGLE/entropy_floor.h \
 		 tracers/none/tracers.h tracers/none/tracers_struct.h \

src/chemistry.h

@@ -35,6 +35,9 @@
 #elif defined(CHEMISTRY_GEAR)
 #include "./chemistry/GEAR/chemistry.h"
 #include "./chemistry/GEAR/chemistry_iact.h"
+#elif defined(CHEMISTRY_QLA)
+#include "./chemistry/QLA/chemistry.h"
+#include "./chemistry/QLA/chemistry_iact.h"
 #elif defined(CHEMISTRY_EAGLE)
 #include "./chemistry/EAGLE/chemistry.h"
 #include "./chemistry/EAGLE/chemistry_iact.h"

src/chemistry/QLA/chemistry.h

+/*******************************************************************************
+ * This file is part of SWIFT.
+ * Copyright (c) 2020 Matthieu Schaller (schaller@strw.leidenuniv.nl)
+ *
+ * This program is free software: you can redistribute it and/or modify
+ * it under the terms of the GNU Lesser General Public License as published
+ * by the Free Software Foundation, either version 3 of the License, or
+ * (at your option) any later version.
+ *
+ * This program is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+ * GNU General Public License for more details.
+ *
+ * You should have received a copy of the GNU Lesser General Public License
+ * along with this program.  If not, see <http://www.gnu.org/licenses/>.
+ *
+ ******************************************************************************/
+#ifndef SWIFT_CHEMISTRY_QLA_H
+#define SWIFT_CHEMISTRY_QLA_H
+
+/**
+ * @file src/chemistry/none/chemistry.h
+ * @brief Empty infrastructure for the cases without chemistry function
+ */
+
+/* Some standard headers. */
+#include <float.h>
+#include <math.h>
+
+/* Local includes. */
+#include "chemistry_struct.h"
+#include "cosmology.h"
+#include "error.h"
+#include "hydro.h"
+#include "parser.h"
+#include "part.h"
+#include "physical_constants.h"
+#include "units.h"
+
+/**
+ * @brief Return a string containing the name of a given #chemistry_element.
+ */
+__attribute__((always_inline)) INLINE static const char*
+chemistry_get_element_name(enum chemistry_element elem) {
+
+  static const char* chemistry_element_names[chemistry_element_count] = {};
+
+  return chemistry_element_names[elem];
+}
+
+/**
+ * @brief Initialises the chemistry properties.
+ *
+ * Nothing to do here.
+ *
+ * @param parameter_file The parsed parameter file.
+ * @param us The current internal system of units.
+ * @param phys_const The physical constants in internal units.
+ * @param data The global chemistry information (to be filled).
+ */
+static INLINE void chemistry_init_backend(struct swift_params* parameter_file,
+                                          const struct unit_system* us,
+                                          const struct phys_const* phys_const,
+                                          struct chemistry_global_data* data) {}
+
+/**
+ * @brief Prints the properties of the chemistry model to stdout.
+ *
+ * Nothing to do here.
+ *
+ * @brief The #chemistry_global_data containing information about the current
+ * model.
+ */
+static INLINE void chemistry_print_backend(
+    const struct chemistry_global_data* data) {
+
+  message("Chemistry function is 'Quick Lyman-alpha'.");
+}
+
+/**
+ * @brief Finishes the density calculation.
+ *
+ * Nothing to do here.
+ *
+ * @param p The particle to act upon
+ * @param cd The global chemistry information.
+ * @param cosmo The current cosmological model.
+ */
+__attribute__((always_inline)) INLINE static void chemistry_end_density(
+    struct part* restrict p, const struct chemistry_global_data* cd,
+    const struct cosmology* cosmo) {}
+
+/**
+ * @brief Updates to the chemistry data after the hydro force loop.
+ *
+ * @param p The particle to act upon.
+ * @param cosmo The current cosmological model.
+ */
+__attribute__((always_inline)) INLINE static void chemistry_end_force(
+    struct part* restrict p, const struct cosmology* cosmo) {}
+
+/**
+ * @brief Computes the chemistry-related time-step constraint.
+ *
+ * @param phys_const The physical constants in internal units.
+ * @param cosmo The current cosmological model.
+ * @param us The internal system of units.
+ * @param hydro_props The properties of the hydro scheme.
+ * @param cd The global properties of the chemistry scheme.
+ * @param p Pointer to the particle data.
+ */
+__attribute__((always_inline)) INLINE static float chemistry_timestep(
+    const struct phys_const* restrict phys_const,
+    const struct cosmology* restrict cosmo,
+    const struct unit_system* restrict us,
+    const struct hydro_props* hydro_props,
+    const struct chemistry_global_data* cd, const struct part* restrict p) {
+  return FLT_MAX;
+}
+
+/**
+ * @brief Sets all particle fields to sensible values when the #part has 0 ngbs.
+ *
+ * Nothing to do here.
+ *
+ * @param p The particle to act upon
+ * @param xp The extended particle data to act upon
+ * @param cd #chemistry_global_data containing chemistry informations.
+ * @param cosmo The current cosmological model.
+ */
+__attribute__((always_inline)) INLINE static void
+chemistry_part_has_no_neighbours(struct part* restrict p,
+                                 struct xpart* restrict xp,
+                                 const struct chemistry_global_data* cd,
+                                 const struct cosmology* cosmo) {}
+
+/**
+ * @brief Sets the chemistry properties of the (x-)particles to a valid start
+ * state.
+ *
+ * Nothing to do here.
+ *
+ * @param phys_const The physical constant in internal units.
+ * @param us The unit system.
+ * @param cosmo The current cosmological model.
+ * @param data The global chemistry information used for this run.
+ * @param p Pointer to the particle data.
+ * @param xp Pointer to the extended particle data.
+ */
+__attribute__((always_inline)) INLINE static void chemistry_first_init_part(
+    const struct phys_const* restrict phys_const,
+    const struct unit_system* restrict us,
+    const struct cosmology* restrict cosmo,
+    const struct chemistry_global_data* data, const struct part* restrict p,
+    struct xpart* restrict xp) {}
+
+/**
+ * @brief Sets the chemistry properties of the (x-)particles to a valid start
+ * state.
+ *
+ * Nothing to do here.
+ *
+ * @param p Pointer to the particle data.
+ * @param data The global chemistry information.
+ */
+__attribute__((always_inline)) INLINE static void chemistry_init_part(
+    struct part* restrict p, const struct chemistry_global_data* data) {}
+
+/**
+ * @brief Sets the chemistry properties of the sparticles to a valid start
+ * state.
+ *
+ * Nothing to do here.
+ *
+ * @param phys_const The physical constants in internal units.
+ * @param us The internal system of units.
+ * @param cosmo The current cosmological model.
+ * @param data The global chemistry information.
+ * @param sp Pointer to the sparticle data.
+ * @param xp Pointer to the extended particle data.
+ */
+__attribute__((always_inline)) INLINE static void chemistry_first_init_spart(
+    const struct chemistry_global_data* data, struct spart* restrict sp) {}
+
+/**
+ * @brief Initialise the chemistry properties of a black hole with
+ * the chemistry properties of the gas it is born from.
+ *
+ * Nothing to do here.
+ *
+ * @param bp_data The black hole data to initialise.
+ * @param p_data The gas data to use.
+ * @param gas_mass The mass of the gas particle.
+ */
+__attribute__((always_inline)) INLINE static void chemistry_bpart_from_part(
+    struct chemistry_bpart_data* bp_data,
+    const struct chemistry_part_data* p_data, const double gas_mass) {}
+
+/**
+ * @brief Add the chemistry data of a gas particle to a black hole.
+ *
+ * Nothing to do here.
+ *
+ * @param bp_data The black hole data to add to.
+ * @param p_data The gas data to use.
+ * @param gas_mass The mass of the gas particle.
+ */
+__attribute__((always_inline)) INLINE static void chemistry_add_part_to_bpart(
+    struct chemistry_bpart_data* bp_data,
+    const struct chemistry_part_data* p_data, const double gas_mass) {}
+
+/**
+ * @brief Add the chemistry data of a black hole to another one.
+ *
+ * Nothing to do here.
+ *
+ * @param bp_data The black hole data to add to.
+ * @param swallowed_data The black hole data to use.
+ */
+__attribute__((always_inline)) INLINE static void chemistry_add_bpart_to_bpart(
+    struct chemistry_bpart_data* bp_data,
+    const struct chemistry_bpart_data* swallowed_data) {}
+
+/**
+ * @brief Split the metal content of a particle into n pieces
+ *
+ * Nothing to do here.
+ *
+ * @param p The #part.
+ * @param n The number of pieces to split into.
+ */
+__attribute__((always_inline)) INLINE static void chemistry_split_part(
+    struct part* p, const double n) {}
+
+/**
+ * @brief Returns the total metallicity (metal mass fraction) of the
+ * star particle to be used in feedback/enrichment related routines.
+ *
+ * No metallicity treatment here -> return 0.
+ *
+ * @param sp Pointer to the particle data.
+ */
+__attribute__((always_inline)) INLINE static float
+chemistry_get_total_metal_mass_fraction_for_feedback(const struct spart* sp) {
+
+  return 0.f;
+}
+
+/**
+ * @brief Returns the abundance array (metal mass fractions) of the
+ * star particle to be used in feedback/enrichment related routines.
+ *
+ * No metallicity treatment here -> return NULL array.
+ *
+ * @param sp Pointer to the particle data.
+ */
+__attribute__((always_inline)) INLINE static float const*
+chemistry_get_metal_mass_fraction_for_feedback(const struct spart* sp) {
+
+  return NULL;
+}
+
+/**
+ * @brief Returns the total metallicity (metal mass fraction) of the
+ * gas particle to be used in cooling related routines.
+ *
+ * No metallicity treatment here -> return 0.
+ *
+ * @param p Pointer to the particle data.
+ */
+__attribute__((always_inline)) INLINE static float
+chemistry_get_total_metal_mass_fraction_for_cooling(const struct part* p) {
+
+  return 0.f;
+}
+
+/**
+ * @brief Returns the abundance array (metal mass fractions) of the
+ * gas particle to be used in cooling related routines.
+ *
+ * No metallicity treatment here -> return NULL array.
+ *
+ * @param p Pointer to the particle data.
+ */
+__attribute__((always_inline)) INLINE static float const*
+chemistry_get_metal_mass_fraction_for_cooling(const struct part* p) {
+
+  return NULL;
+}
+
+/**
+ * @brief Returns the total metallicity (metal mass fraction) of the
+ * gas particle to be used in star formation related routines.
+ *
+ * No metallicity treatment here -> return 0.
+ *
+ * @param p Pointer to the particle data.
+ */
+__attribute__((always_inline)) INLINE static float
+chemistry_get_total_metal_mass_fraction_for_star_formation(
+    const struct part* p) {
+
+  return 0.f;
+}
+
+/**
+ * @brief Returns the abundance array (metal mass fractions) of the
+ * gas particle to be used in star formation related routines.
+ *
+ * No metallicity treatment here -> return NULL array.
+ *
+ * @param p Pointer to the particle data.
+ */
+__attribute__((always_inline)) INLINE static float const*
+chemistry_get_metal_mass_fraction_for_star_formation(const struct part* p) {
+
+  return NULL;
+}
+
+#endif /* SWIFT_CHEMISTRY_QLA_H */

src/chemistry/QLA/chemistry_iact.h

+/*******************************************************************************
+ * This file is part of SWIFT.
+ * Copyright (c) 2020 Matthieu Schaller (schaller@strw.leidenuniv.nl)
+ *
+ * This program is free software: you can redistribute it and/or modify
+ * it under the terms of the GNU Lesser General Public License as published
+ * by the Free Software Foundation, either version 3 of the License, or
+ * (at your option) any later version.
+ *
+ * This program is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+ * GNU General Public License for more details.
+ *
+ * You should have received a copy of the GNU Lesser General Public License
+ * along with this program.  If not, see <http://www.gnu.org/licenses/>.
+ *
+ ******************************************************************************/
+#ifndef SWIFT_QLA_CHEMISTRY_IACT_H
+#define SWIFT_QLA_CHEMISTRY_IACT_H
+
+/**
+ * @file none/chemistry_iact.h
+ * @brief Density computation
+ */
+
+/**
+ * @brief do chemistry computation after the runner_iact_density (symmetric
+ * version)
+ *
+ * @param r2 Comoving square distance between the two particles.
+ * @param dx Comoving vector separating both particles (pi - pj).
+ * @param hi Comoving smoothing-length of particle i.
+ * @param hj Comoving smoothing-length of particle j.
+ * @param pi First particle.
+ * @param pj Second particle.
+ * @param a Current scale factor.
+ * @param H Current Hubble parameter.
+ */
+__attribute__((always_inline)) INLINE static void runner_iact_chemistry(
+    float r2, const float *dx, float hi, float hj, struct part *restrict pi,
+    struct part *restrict pj, float a, float H) {}
+
+/**
+ * @brief do chemistry computation after the runner_iact_density (non symmetric
+ * version)
+ *
+ * @param r2 Comoving square distance between the two particles.
+ * @param dx Comoving vector separating both particles (pi - pj).
+ * @param hi Comoving smoothing-length of particle i.
+ * @param hj Comoving smoothing-length of particle j.
+ * @param pi First particle.
+ * @param pj Second particle (not updated).
+ * @param a Current scale factor.
+ * @param H Current Hubble parameter.
+ */
+__attribute__((always_inline)) INLINE static void runner_iact_nonsym_chemistry(
+    float r2, const float *dx, float hi, float hj, struct part *restrict pi,
+    const struct part *restrict pj, float a, float H) {}
+
+#endif /* SWIFT_QLA_CHEMISTRY_IACT_H */

src/chemistry/QLA/chemistry_io.h

+/*******************************************************************************
+ * This file is part of SWIFT.
+ * Coypright (c) 2020 Matthieu Schaller (schaller@strw.leidenuniv.nl)
+ *
+ * This program is free software: you can redistribute it and/or modify
+ * it under the terms of the GNU Lesser General Public License as published
+ * by the Free Software Foundation, either version 3 of the License, or
+ * (at your option) any later version.
+ *
+ * This program is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+ * GNU General Public License for more details.
+ *
+ * You should have received a copy of the GNU Lesser General Public License
+ * along with this program.  If not, see <http://www.gnu.org/licenses/>.
+ *
+ ******************************************************************************/
+#ifndef SWIFT_CHEMISTRY_IO_QLA_H
+#define SWIFT_CHEMISTRY_IO_QLA_H
+
+#include "io_properties.h"
+
+/**
+ * @brief Specifies which particle fields to read from a dataset
+ *
+ * @param parts The particle array.
+ * @param list The list of i/o properties to read.
+ *
+ * @return Returns the number of fields to write.
+ */
+INLINE static int chemistry_read_particles(struct part* parts,
+                                           struct io_props* list) {
+
+  /* update list according to hydro_io */
+
+  /* Return the number of fields to read */
+  return 0;
+}
+
+/**
+ * @brief Specifies which particle fields to write to a dataset
+ *
+ * @param parts The particle array.
+ * @param list The list of i/o properties to write.
+ *
+ * @return Returns the number of fields to write.
+ */
+INLINE static int chemistry_write_particles(const struct part* parts,
+                                            struct io_props* list) {
+
+  /* update list according to hydro_io */
+
+  /* Return the number of fields to write */
+  return 0;
+}
+
+/**
+ * @brief Specifies which sparticle fields to write to a dataset
+ *
+ * @param sparts The sparticle array.
+ * @param list The list of i/o properties to write.
+ *
+ * @return Returns the number of fields to write.
+ */
+INLINE static int chemistry_write_sparticles(const struct spart* sparts,
+                                             struct io_props* list) {
+
+  /* update list according to hydro_io */
+
+  /* Return the number of fields to write */
+  return 0;
+}
+
+/**
+ * @brief Specifies which bparticle fields to write to a dataset
+ *
+ * @param bparts The bparticle array.
+ * @param list The list of i/o properties to write.
+ *
+ * @return Returns the number of fields to write.
+ */
+INLINE static int chemistry_write_bparticles(const struct bpart* bparts,
+                                             struct io_props* list) {
+
+  /* update list according to hydro_io */
+
+  /* Return the number of fields to write */
+  return 0;
+}
+
+#ifdef HAVE_HDF5
+
+/**
+ * @brief Writes the current model of chemistry to the file
+ * @param h_grp The HDF5 group in which to write
+ */
+INLINE static void chemistry_write_flavour(hid_t h_grp) {
+
+  io_write_attribute_s(h_grp, "Chemistry Model", "Quick Lyman-alpha");
+  io_write_attribute_d(h_grp, "Chemistry element count", 0);
+}
+#endif
+
+#endif /* SWIFT_CHEMISTRY_IO_QLA_H */

src/chemistry/QLA/chemistry_struct.h

+/*******************************************************************************
+ * This file is part of SWIFT.
+ * Copyright (c) 2020 Matthieu Schaller (schaller@strw.leidenuniv.nl)
+ *
+ * This program is free software: you can redistribute it and/or modify
+ * it under the terms of the GNU Lesser General Public License as published
+ * by the Free Software Foundation, either version 3 of the License, or
+ * (at your option) any later version.
+ *
+ * This program is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+ * GNU General Public License for more details.
+ *
+ * You should have received a copy of the GNU Lesser General Public License
+ * along with this program.  If not, see <http://www.gnu.org/licenses/>.
+ *
+ ******************************************************************************/
+#ifndef SWIFT_CHEMISTRY_STRUCT_QLA_H
+#define SWIFT_C