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default value of imaginary direction is set to 0, meaning both minus … #42

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Merged
lenhanpham merged 1 commit into from
May 8, 2026
Merged

default value of imaginary direction is set to 0, meaning both minus … #42

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8 changes: 4 additions & 4 deletions src/commands/ivcoord_command.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -162,8 +162,8 @@ void IVCoordCommand::parse_args(int argc, char* argv[], int& i, CommandContext&
if (ivc_direction < -1 || ivc_direction > 1)
{
context.warnings.push_back(
"Warning: idirection in param file should be -1, 0, or +1; reset to 1");
ivc_direction = 1;
"Warning: idirection in param file should be -1, 0, or +1; reset to 0");
ivc_direction = 0;
Comment on lines +165 to +166
}
}
else
Expand All @@ -181,8 +181,8 @@ void IVCoordCommand::parse_args(int argc, char* argv[], int& i, CommandContext&
out << "# Displace geometry along imaginary normal modes\n\n";
out << "# Displacement amplitude (default: 1.0)\n";
out << "iamp = 1.0\n\n";
out << "# Direction: +1 = plus only, -1 = minus only, 0 = both (default: 1)\n";
out << "idirection = 1\n";
out << "# Direction: +1 = plus only, -1 = minus only, 0 = both (default: 0)\n";
out << "idirection = 0\n";
out.close();
std::cout << "Generated parameter template: " << filename << std::endl;
std::cout << "Use with: cck ivcoord --param-file " << filename << std::endl;
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2 changes: 1 addition & 1 deletion src/commands/ivcoord_command.h
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Expand Up @@ -34,7 +34,7 @@ class IVCoordCommand : public ICommand

private:
double ivc_amp = 1.0; ///< Displacement amplitude
int ivc_direction = 1; ///< +1 = plus, -1 = minus, 0 = both
int ivc_direction = 0; ///< +1 = plus, -1 = minus, 0 = both
};

#endif // IVCOORD_COMMAND_H
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