remove size fun from KP3Index

This commit is contained in:
Alfredo Correa 2022-09-27 15:00:11 -07:00
parent b7f73d9c84
commit f3c3d45731
1 changed files with 5 additions and 5 deletions

View File

@ -318,10 +318,10 @@ public:
bool addEXX = true)
{
int nkpts = nopk.size();
assert(E.size(1) >= 3);
assert(std::get<1>(E.sizes()) >= 3);
assert(nd >= 0 && nd < nelpk.size());
int nwalk = Gc.size(1);
int nwalk = std::get<1>(Gc.sizes());
int nspin = (walker_type == COLLINEAR ? 2 : 1);
int npol = (walker_type == NONCOLLINEAR ? 2 : 1);
int nmo_tot = std::accumulate(nopk.begin(), nopk.end(), 0);
@ -688,10 +688,10 @@ public:
// need to finish modifications for distribution of Q
int nkpts = nopk.size();
assert(E.size(1) >= 3);
assert(std::get<1>(E.sizes()) >= 3);
assert(nd >= 0 && nd < nelpk.size());
int nwalk = Gc.size(1);
int nwalk = std::get<1>(Gc.sizes());
int nspin = (walker_type == COLLINEAR ? 2 : 1);
int nmo_tot = std::accumulate(nopk.begin(), nopk.end(), 0);
int nmo_max = *std::max_element(nopk.begin(), nopk.end());
@ -1664,7 +1664,7 @@ private:
{
int nspin = (walker_type == COLLINEAR ? 2 : 1);
int npol = (walker_type == NONCOLLINEAR ? 2 : 1);
int nwalk = GKaKj.size(1);
int nwalk = std::get<1>(GKaKj.sizes());
int nkpts = nopk.size();
assert(GKaKj.num_elements() == (nocca_tot + noccb_tot) * npol * nmo_tot * nwalk);
assert(GKKaj.num_elements() == nspin * nkpts * nkpts * npol * akmax * nwalk);