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Discussion: support a uniformed alias comprehension manner #5953

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49 changes: 36 additions & 13 deletions source/module_io/read_input_item_elec_stru.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -3,6 +3,40 @@
#include "read_input.h"
#include "read_input_tool.h"

#include <map>

// next time if there are other keywords need the support of alias, move this function
// to an upper level
std::string alias_to_full_name(const std::map<std::string, std::vector<std::string>>& m,
const std::string& in)
{
for (const auto& key : m)
{
if (std::find(key.second.begin(), key.second.end(), in) != key.second.end())
{
return key.first;
}
}
ModuleBase::WARNING_QUIT("ModuleIO::ReadInput::read_input_item_elec_stru::alias_to_full_name",
"The alias: `" + in + "` is not supported.");
}

// support the alias for keyword `smearing_type`
void alias_update_smearing_method(std::string& in)
{
// once there is new option added, update this map
const std::map<std::string, std::vector<std::string>> alias = {
{"fixed", {"fixed"}},
{"gaussian", {"gaussian", "gauss", "gau"}},
{"fermi-dirac", {"fermi-dirac", "fd", "f-d"}},
{"mp", {"mp", "methfessel-paxton", "m-p"}},
{"mp2", {"mp2", "mp-2"}},
{"mp3", {"mp3", "mp-3"}},
{"marzari-vanderbilt", {"marzari-vanderbilt", "mv", "m-v", "cold"}}
};
in = alias_to_full_name(alias, in);
}

namespace ModuleIO
{
void ReadInput::item_elec_stru()
Expand Down Expand Up @@ -335,20 +369,9 @@ void ReadInput::item_elec_stru()
}
{
Input_Item item("smearing_method");
item.annotation = "type of smearing_method: gauss; fd; fixed; mp; mp2; mv";
item.annotation = "type of smearing on electronic occupation";
alias_update_smearing_method(item.str_values[0]); // it might not be the best place
read_sync_string(input.smearing_method);
item.check_value = [](const Input_Item& item, const Parameter& para) {
const std::vector<std::string> methods = {"gauss", "gaussian",
"fd", "fermi-dirac",
"fixed",
"mp", "mp2", "mp3"
"marzari-vanderbilt", "cold", "mv"};
if (std::find(methods.begin(), methods.end(), para.input.smearing_method) == methods.end())
{
const std::string warningstr = nofound_str(methods, "smearing_method");
ModuleBase::WARNING_QUIT("ReadInput", warningstr);
}
};
this->add_item(item);
}
{
Expand Down
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