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Add an input file key to disable three body interaction in the DPS in…
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…teraction (#117)
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JeDeveloper authored Aug 26, 2024
1 parent 978ba8f commit 2d62ba7
Showing 1 changed file with 4 additions and 0 deletions.
Original file line number Diff line number Diff line change
Expand Up @@ -28,6 +28,7 @@ void DetailedPatchySwapInteraction::get_settings(input_file &inp) {

getInputNumber(&inp, "DPS_lambda", &_lambda, 0);
getInputString(&inp, "DPS_interaction_matrix_file", _interaction_matrix_file, 1);
getInputBool(&inp, "DPS_no_three_body", &no_three_body, 0);

getInputBool(&inp, "DPS_normalise_patches", &_normalise_patches, 0);

Expand Down Expand Up @@ -62,6 +63,9 @@ void DetailedPatchySwapInteraction::init() {
OX_LOG(Logger::LOG_INFO, "DPS: Custom patches will NOT be normalised");
}
}
if (no_three_body){
OX_LOG(Logger::LOG_INFO, "DPS: Three-body interaction is DISABLED");
}

if(_is_KF) {
ADD_INTERACTION_TO_MAP(PATCHY, _patchy_two_body_KF);
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