8000 Colloid wetting problem by kevinstratford · Pull Request #345 · ludwig-cf/ludwig · GitHub
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Colloid wetting problem #345

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Jan 29, 2025
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Colloid wetting problem #345

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23 changes: 13 additions & 10 deletions src/gradient_3d_27pt_solid.c
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Original file line number Diff line number Diff line change
Expand Up @@ -27,7 +27,7 @@
* Edinburgh Soft Matter and Statistical Physics Group and
* Edinburgh Parallel Computing Centre
*
* (c) 2010-2024 The University of Edinburgh
* (c) 2010-2025 The University of Edinburgh
*
* Contributing authors:
* Kevin Stratford (kevin@epcc.ed.ac.uk)
Expand Down Expand Up @@ -80,24 +80,25 @@ __global__ void grad_3d_27pt_solid_kernel(kernel_3d_t k3d,

__host__ int grad_3d_27pt_solid_map_set(map_t * map) {

int ndata;
assert(map);

static_solid.map = map;

/* We expect at most two wetting parameters; if present
/* We expect either zero or two wetting parameters; if present
* first should be C, second H. Default to zero. */

ndata = map->ndata;

if (ndata == 0) {
if (map->ndata == 0) {
/* Assume we are uniform from free energy */
static_solid.uniform = 1;
}
else if (ndata != 2) {
/* We should have exactly 2 */
else if (map->ndata == 2) {
/* Assume we have colloid non-uniform wetting */
static_solid.uniform = 0;
}
else {
/* We don't handle the case */
pe_fatal(map->pe, "Wrong number of wetting parameters in map data %d\n",
ndata);
map->ndata);
}

return 0;
Expand All @@ -113,11 +114,13 @@ __host__ int grad_3d_27pt_solid_fe_set(fe_symm_t * fe) {

assert(fe);

/* Always assume this means uniform wetting */

static_solid.fe_symm = fe;
static_solid.rkappa = 1.0/fe->param->kappa;
static_solid.c = fe->param->c;
static_solid.h = fe->param->h;
if (static_solid.map == NULL) static_solid.uniform = 1;
static_solid.uniform = 1;

return 0;
}
Expand Down
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