From 2d62ba753b0b3d63cffc2a2a4c3d373403bed1c4 Mon Sep 17 00:00:00 2001 From: Josh Evans Date: Mon, 26 Aug 2024 04:14:47 -0700 Subject: [PATCH] Add an input file key to disable three body interaction in the DPS interaction (#117) --- .../src/Interactions/DetailedPatchySwapInteraction.cpp | 4 ++++ 1 file changed, 4 insertions(+) diff --git a/contrib/rovigatti/src/Interactions/DetailedPatchySwapInteraction.cpp b/contrib/rovigatti/src/Interactions/DetailedPatchySwapInteraction.cpp index 8fa2ffae..ee564d1c 100644 --- a/contrib/rovigatti/src/Interactions/DetailedPatchySwapInteraction.cpp +++ b/contrib/rovigatti/src/Interactions/DetailedPatchySwapInteraction.cpp @@ -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); @@ -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);