Commit 4a092907 by Francois Gygi

Add exchange at gamma point functionality

parent 0cfce6d0
......@@ -61,7 +61,6 @@ class ExchangeOperator
// Fourier transform for states and forces at gamma
FourierTransform* wft_;
FourierTransform* dwft_;
// pair densities
vector<complex<double> > rhog1_;
......@@ -76,9 +75,12 @@ class ExchangeOperator
valarray<double> int_pot2_;
// numbers of states
int nLocalStates_;
int nMaxLocalStates_;
// address of neighboring task for permutations
int colSendTo_;
int colRecvFr_;
// exchange energies
vector<double> exchange_ki_;
vector<double> exchange_kj_;
......@@ -108,22 +110,9 @@ class ExchangeOperator
vector<complex<double> > buffer_forces_1_;
vector<complex<double> > buffer_forces_2_;
// contexts and communicators
const Context &gcontext_;
MPI_Comm vcomm_;
// Communications
int colSendTo_;
int colRecvFr_;
int iSendTo_;
int iRecvFr_;
int nStatesKpi_;
int nNextStatesKpi_;
// communicator
MPI_Comm comm_;
// MPI communications request
MPI_Request send_request_NumberOfStates_;
MPI_Request recv_request_NumberOfStates_;
......
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