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reorder so that kspace follows improper and comes before compute

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This commit is contained in:
Axel Kohlmeyer
2022-03-28 15:12:25 -04:00
parent cd8cdc711c
commit 63caa8bb44
3 changed files with 19 additions and 20 deletions
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2
doc/src/Developer_plugins.rst
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@ -68,7 +68,7 @@ Members of ``lammpsplugin_t``
* - author * - author
- String with the name and email of the author - String with the name and email of the author
* - creator.v1 * - creator.v1
- Pointer to factory function for pair, bond, angle, dihedral, improper, command or kspace styles - Pointer to factory function for pair, bond, angle, dihedral, improper, kspace, or command styles
* - creator.v2 * - creator.v2
- Pointer to factory function for compute, fix, or region styles - Pointer to factory function for compute, fix, or region styles
* - handle * - handle

2
doc/src/plugin.rst
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@ -17,7 +17,7 @@ Syntax
*load* file = load plugin(s) from shared object in *file* *load* file = load plugin(s) from shared object in *file*
*unload* style name = unload plugin *name* of style *style* *unload* style name = unload plugin *name* of style *style*
*style* = *pair* or *bond* or *angle* or *dihedral* or *improper* or *compute* or *fix* or *region* or *command* or *kspace* *style* = *pair* or *bond* or *angle* or *dihedral* or *improper* or *kspace* or *compute* or *fix* or *region* or *command*
*list* = print a list of currently loaded plugins *list* = print a list of currently loaded plugins
*clear* = unload all currently loaded plugins *clear* = unload all currently loaded plugins

35
src/PLUGIN/plugin.cpp
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@ -208,6 +208,14 @@ void plugin_register(lammpsplugin_t *plugin, void *ptr)
} }
(*improper_map)[plugin->name] = (Force::ImproperCreator) plugin->creator.v1; (*improper_map)[plugin->name] = (Force::ImproperCreator) plugin->creator.v1;
} else if (pstyle == "kspace") {
auto kspace_map = lmp->force->kspace_map;
if (kspace_map->find(plugin->name) != kspace_map->end()) {
if (lmp->comm->me == 0)
lmp->error->warning(FLERR, "Overriding built-in kspace style {} from plugin", plugin->name);
}
(*kspace_map)[plugin->name] = (Force::KSpaceCreator) plugin->creator.v1;
} else if (pstyle == "compute") { } else if (pstyle == "compute") {
auto compute_map = lmp->modify->compute_map; auto compute_map = lmp->modify->compute_map;
if (compute_map->find(plugin->name) != compute_map->end()) { if (compute_map->find(plugin->name) != compute_map->end()) {
@ -242,15 +250,6 @@ void plugin_register(lammpsplugin_t *plugin, void *ptr)
} }
(*command_map)[plugin->name] = (Input::CommandCreator) plugin->creator.v1; (*command_map)[plugin->name] = (Input::CommandCreator) plugin->creator.v1;
} else if (pstyle == "kspace") {
auto kspace_map = lmp->force->kspace_map;
if (kspace_map->find(plugin->name) != kspace_map->end()) {
if (lmp->comm->me == 0)
lmp->error->warning(FLERR, "Overriding built-in kspace style {} from plugin",
plugin->name);
}
(*kspace_map)[plugin->name] = (Force::KSpaceCreator) plugin->creator.v1;
} else { } else {
utils::logmesg(lmp, "Loading plugins for {} styles not yet implemented\n", pstyle); utils::logmesg(lmp, "Loading plugins for {} styles not yet implemented\n", pstyle);
pluginlist.pop_back(); pluginlist.pop_back();
@ -272,9 +271,9 @@ void plugin_unload(const char *style, const char *name, LAMMPS *lmp)
// ignore unload request from unsupported style categories // ignore unload request from unsupported style categories
if ((strcmp(style, "pair") != 0) && (strcmp(style, "bond") != 0) && if ((strcmp(style, "pair") != 0) && (strcmp(style, "bond") != 0) &&
(strcmp(style, "angle") != 0) && (strcmp(style, "dihedral") != 0) && (strcmp(style, "angle") != 0) && (strcmp(style, "dihedral") != 0) &&
(strcmp(style, "improper") != 0) && (strcmp(style, "compute") != 0) && (strcmp(style, "improper") != 0) && (strcmp(style, "kspace") != 0) &&
(strcmp(style, "fix") != 0) && (strcmp(style, "region") != 0) && (strcmp(style, "compute") != 0) && (strcmp(style, "fix") != 0) &&
(strcmp(style, "command") != 0) && (strcmp(style, "kspace") != 0)) { (strcmp(style, "region") != 0) && (strcmp(style, "command") != 0)) {
if (me == 0) if (me == 0)
utils::logmesg(lmp, "Ignoring unload: {} is not a supported plugin style\n", style); utils::logmesg(lmp, "Ignoring unload: {} is not a supported plugin style\n", style);
return; return;
@ -356,6 +355,12 @@ void plugin_unload(const char *style, const char *name, LAMMPS *lmp)
if ((lmp->force->improper_style != nullptr) && (lmp->force->improper_match(name) != nullptr)) if ((lmp->force->improper_style != nullptr) && (lmp->force->improper_match(name) != nullptr))
lmp->force->create_improper("none", 0); lmp->force->create_improper("none", 0);
} else if (pstyle == "kspace") {
auto kspace_map = lmp->force->kspace_map;
auto found = kspace_map->find(name);
if (found != kspace_map->end()) kspace_map->erase(name);
} else if (pstyle == "compute") { } else if (pstyle == "compute") {
auto compute_map = lmp->modify->compute_map; auto compute_map = lmp->modify->compute_map;
@ -391,12 +396,6 @@ void plugin_unload(const char *style, const char *name, LAMMPS *lmp)
auto command_map = lmp->input->command_map; auto command_map = lmp->input->command_map;
auto found = command_map->find(name); auto found = command_map->find(name);
if (found != command_map->end()) command_map->erase(name); if (found != command_map->end()) command_map->erase(name);
} else if (pstyle == "kspace") {
auto kspace_map = lmp->force->kspace_map;
auto found = kspace_map->find(name);
if (found != kspace_map->end()) kspace_map->erase(name);
} }
// if reference count is down to zero, close DSO handle. // if reference count is down to zero, close DSO handle.