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Searched refs:dUFrame_ (Results 1 – 4 of 4) sorted by relevance

/dports/science/votca/votca-2021.2-18560-gfbe18d971/csg/src/tools/
H A Dcsg_reupdate.cc184 dUFrame_ = Eigen::VectorXd::Zero(nlamda_); in BeginEvaluate()
500 worker->dUFrame_ = Eigen::VectorXd::Zero(worker->nlamda_); in ForkWorker()
533 dUFrame_.setZero(); in EvalConfiguration()
544 DS_ -= beta_ * dUFrame_; in EvalConfiguration()
545 HS_ += beta_ * beta_ * dUFrame_ * dUFrame_.transpose(); in EvalConfiguration()
622 dUFrame_(row) = dU_i; in EvalNonbonded()
H A Dcsg_reupdate.h101 Eigen::VectorXd dUFrame_; variable
150 Eigen::VectorXd dUFrame_; variable
/dports/science/votca/votca-2021.2-18560-gfbe18d971/csg/csg-da5c1dc/src/tools/
H A Dcsg_reupdate.cc184 dUFrame_ = Eigen::VectorXd::Zero(nlamda_); in BeginEvaluate()
500 worker->dUFrame_ = Eigen::VectorXd::Zero(worker->nlamda_); in ForkWorker()
533 dUFrame_.setZero(); in EvalConfiguration()
544 DS_ -= beta_ * dUFrame_; in EvalConfiguration()
545 HS_ += beta_ * beta_ * dUFrame_ * dUFrame_.transpose(); in EvalConfiguration()
622 dUFrame_(row) = dU_i; in EvalNonbonded()
H A Dcsg_reupdate.h101 Eigen::VectorXd dUFrame_; variable
150 Eigen::VectorXd dUFrame_; variable