Commit 18da2ec4 authored by lhausamm's avatar lhausamm
Browse files

bugfix and cleaned code

parent 62f703f8
......@@ -533,7 +533,7 @@ if test "x$with_grackle" != "xno"; then
[grackle],
[initialize_chemistry_data],
[AC_DEFINE([HAVE_GRACKLE],1,[The GRACKLE library appears to be present.])
AC_DEFINE([CONFIG_BFLOAT_4],1,[Use double in grackle])
AC_DEFINE([CONFIG_BFLOAT_8],1,[Use double in grackle])
],
[AC_MSG_ERROR(Cannot find grackle library!)],
[$GRACKLE_LIBS $GRACKLE_INCS $FCLIBS]
......
......@@ -267,6 +267,180 @@ __attribute__((always_inline)) INLINE static void cooling_print_backend(
#endif
}
/**
* @brief allocate required field
*
* @param data the #grackle_field_data
*/
__attribute__((always_inline)) INLINE static void cooling_malloc_data(grackle_field_data *data) {
#if COOLING_GRACKLE_MODE >= 1
/* primordial chemistry >= 1 */
data->HI_density = malloc(sizeof(gr_float));
data->HII_density = malloc(sizeof(gr_float));
data->HeI_density = malloc(sizeof(gr_float));
data->HeII_density = malloc(sizeof(gr_float));
data->HeIII_density = malloc(sizeof(gr_float));
data->e_density = malloc(sizeof(gr_float));
#endif // MODE >= 1
#if COOLING_GRACKLE_MODE >= 2
/* primordial chemistry >= 2 */
data->HM_density = malloc(sizeof(gr_float));
data->H2I_density = malloc(sizeof(gr_float));
data->H2II_density = malloc(sizeof(gr_float));
#endif // MODE 2
#if COOLING_GRACKLE_MODE >= 3
/* primordial chemistry >= 3 */
data->DI_density = malloc(sizeof(gr_float));
data->DII_density = malloc(sizeof(gr_float));
data->HDI_density = malloc(sizeof(gr_float));
#endif // MODE >= 3
/* metal cooling = 1 */
data->metal_density = malloc(sizeof(gr_float));
/* /\* volumetric heating rate *\/ */
/* data->volumetric_heating_rate = NULL; */
/* /\* specific heating rate *\/ */
/* data->specific_heating_rate = NULL; */
}
/**
* @brief free the allocated memory
*
* @param data the #grackle_field_data
*/
__attribute__((always_inline)) INLINE static void cooling_free_data(grackle_field_data *data) {
#if COOLING_GRACKLE_MODE >= 1
/* primordial chemistry >= 1 */
free(data->HI_density);
free(data->HII_density);
free(data->HeI_density);
free(data->HeII_density);
free(data->HeIII_density);
free(data->e_density);
#endif // MODE >= 1
#if COOLING_GRACKLE_MODE >= 2
/* primordial chemistry >= 2 */
free(data->HM_density);
free(data->H2I_density);
free(data->H2II_density);
#endif // MODE 2
#if COOLING_GRACKLE_MODE >= 3
/* primordial chemistry >= 3 */
free(data->DI_density);
free(data->DII_density);
free(data->HDI_density);
#endif // MODE >= 3
/* metal cooling = 1 */
free(data->metal_density);
/* /\* volumetric heating rate *\/ */
/* data->volumetric_heating_rate = NULL; */
/* /\* specific heating rate *\/ */
/* data->specific_heating_rate = NULL; */
}
/**
* @brief copy xp to data
*
* requires the particle to have been transformed into density
*
* @param data the #grackle_field_data
* @param xp the #xpart
*/
__attribute__((always_inline)) INLINE static void cooling_copy_to_data(grackle_field_data *data, const struct xpart *xp) {
#if COOLING_GRACKLE_MODE >= 1
/* primordial chemistry >= 1 */
data->HI_density[0] = xp->cooling_data.HI_frac;
data->HII_density[0] = xp->cooling_data.HII_frac;
data->HeI_density[0] = xp->cooling_data.HeI_frac;
data->HeII_density[0] = xp->cooling_data.HeII_frac;
data->HeIII_density[0] = xp->cooling_data.HeIII_frac;
data->e_density[0] = xp->cooling_data.e_frac;
#endif // MODE >= 1
#if COOLING_GRACKLE_MODE >= 2
/* primordial chemistry >= 2 */
data->HM_density[0] = xp->cooling_data.HM_frac;
data->H2I_density[0] = xp->cooling_data.H2I_frac;
data->H2II_density[0] = xp->cooling_data.H2II_frac;
#endif // MODE 2
#if COOLING_GRACKLE_MODE >= 3
/* primordial chemistry >= 3 */
data->DI_density[0] = xp->cooling_data.DI_frac;
data->DII_density[0] = xp->cooling_data.DII_frac;
data->HDI_density[0] = xp->cooling_data.HDI_frac;
#endif // MODE >= 3
/* metal cooling = 1 */
data->metal_density[0] = xp->cooling_data.metal_frac;
/* volumetric heating rate */
data->volumetric_heating_rate = NULL;
/* specific heating rate */
data->specific_heating_rate = NULL;
}
/**
* @brief copy data to xp
*
* @param data the #grackle_field_data
* @param xp the #xpart
*/
__attribute__((always_inline)) INLINE static void cooling_copy_to_particle(const grackle_field_data *data, struct xpart *xp) {
#if COOLING_GRACKLE_MODE >= 1
/* primordial chemistry >= 1 */
xp->cooling_data.HI_frac = data->HI_density[0];
xp->cooling_data.HII_frac = data->HII_density[0];
xp->cooling_data.HeI_frac = data->HeI_density[0];
xp->cooling_data.HeII_frac = data->HeII_density[0];
xp->cooling_data.HeIII_frac = data->HeIII_density[0];
xp->cooling_data.e_frac = data->e_density[0];
#endif // MODE >= 1
#if COOLING_GRACKLE_MODE >= 2
/* primordial chemistry >= 2 */
xp->cooling_data.HM_frac = data->HM_density[0];
xp->cooling_data.H2I_frac = data->H2I_density[0];
xp->cooling_data.H2II_frac = data->H2II_density[0];
#endif // MODE 2
#if COOLING_GRACKLE_MODE >= 3
/* primordial chemistry >= 3 */
xp->cooling_data.DI_frac = data->DI_density[0];
xp->cooling_data.DII_frac = data->DII_density[0];
xp->cooling_data.HDI_frac = data->HDI_density[0];
#endif // MODE >= 3
/* metal cooling = 1 */
xp->cooling_data.metal_frac = data->metal_density[0];
/* /\* volumetric heating rate *\/ */
/* data->volumetric_heating_rate = NULL; */
/* /\* specific heating rate *\/ */
/* data->specific_heating_rate = NULL; */
}
/**
* @brief Compute the cooling rate and update the particle chemistry data
*
......@@ -327,48 +501,26 @@ __attribute__((always_inline)) INLINE static double cooling_rate(
/* transform gas fraction to densities */
cooling_compute_density(xp, *data.density);
#if COOLING_GRACKLE_MODE >= 1
/* primordial chemistry >= 1 */
data.HI_density = &xp->cooling_data.HI_frac;
data.HII_density = &xp->cooling_data.HII_frac;
data.HeI_density = &xp->cooling_data.HeI_frac;
data.HeII_density = &xp->cooling_data.HeII_frac;
data.HeIII_density = &xp->cooling_data.HeIII_frac;
data.e_density = &xp->cooling_data.e_frac;
#endif // MODE >= 1
#if COOLING_GRACKLE_MODE >= 2
/* primordial chemistry >= 2 */
data.HM_density = &xp->cooling_data.HM_frac;
data.H2I_density = &xp->cooling_data.H2I_frac;
data.H2II_density = &xp->cooling_data.H2II_frac;
#endif // MODE 2
#if COOLING_GRACKLE_MODE >= 3
/* primordial chemistry >= 3 */
data.DI_density = &xp->cooling_data.DI_frac;
data.DII_density = &xp->cooling_data.DII_frac;
data.HDI_density = &xp->cooling_data.HDI_frac;
#endif // MODE >= 3
/* allocate grackle data */
cooling_malloc_data(&data);
/* metal cooling = 1 */
data.metal_density = &xp->cooling_data.metal_frac;
/* volumetric heating rate */
data.volumetric_heating_rate = NULL;
/* specific heating rate */
data.specific_heating_rate = NULL;
/* copy data from particle to grackle data */
cooling_copy_to_data(&data, xp);
/* solve chemistry with table */
if (solve_chemistry(&units, &data, dt) == 0) {
error("Error in solve_chemistry.");
}
/* copy from grackle data to particle */
cooling_copy_to_particle(&data, xp);
/* transform densities to gas fraction */
cooling_compute_fraction(xp, *data.density);
/* free allocated memory */
cooling_free_data(&data);
/* compute rate */
return (energy - energy_before) / dt;
}
......
......@@ -61,24 +61,24 @@ struct cooling_xpart_data {
/* here all fractions are mass fraction */
#if COOLING_GRACKLE_MODE >= 1
/* primordial chemistry >= 1 */
gr_float HI_frac;
gr_float HII_frac;
gr_float HeI_frac;
gr_float HeII_frac;
gr_float HeIII_frac;
gr_float e_frac;
float HI_frac;
float HII_frac;
float HeI_frac;
float HeII_frac;
float HeIII_frac;
float e_frac;
#if COOLING_GRACKLE_MODE >= 2
/* primordial chemistry >= 2 */
gr_float HM_frac;
gr_float H2I_frac;
gr_float H2II_frac;
float HM_frac;
float H2I_frac;
float H2II_frac;
#if COOLING_GRACKLE_MODE >= 3
/* primordial chemistry >= 3 */
gr_float DI_frac;
gr_float DII_frac;
gr_float HDI_frac;
float DI_frac;
float DII_frac;
float HDI_frac;
#endif // MODE >= 3
#endif // MODE >= 2
......@@ -86,7 +86,7 @@ struct cooling_xpart_data {
#endif // MODE >= 1
/* metal cooling = 1 */
gr_float metal_frac;
float metal_frac;
};
#endif /* SWIFT_COOLING_STRUCT_NONE_H */
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