DF_Helper: finishes conversions from direct -> direct_iaQ

psi4 · Feb 22, 2018 · e692e1c · e692e1c
1 parent 93cd478
commit e692e1c
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Showing 3 changed files with 3 additions and 3 deletions.
diff --git a/psi4/src/psi4/detci/ints.cc b/psi4/src/psi4/detci/ints.cc
@@ -154,7 +154,7 @@ void CIWavefunction::setup_dfmcscf_ints() {
     // ==> Init DF object <== /
     dfh_ = std::make_shared<DF_Helper>(get_basisset("ORBITAL"), get_basisset("DF_BASIS_SCF"));
     dfh_->set_memory(Process::environment.get_memory() * 0.8 / sizeof(double));
-    dfh_->set_method("DIRECT_iaQ");
+    dfh_->set_method("STORE");
     dfh_->set_nthreads(num_threads_);
     dfh_->initialize();
 

diff --git a/psi4/src/psi4/libsapt_solver/fdds_disp.cc b/psi4/src/psi4/libsapt_solver/fdds_disp.cc
@@ -155,7 +155,7 @@ FDDS_Dispersion::FDDS_Dispersion(std::shared_ptr<BasisSet> primary, std::shared_
     // Build DF_Helper
     dfh_ = std::make_shared<DF_Helper>(primary_, auxiliary_);
     dfh_->set_memory(doubles);
-    dfh_->set_method("STORE");
+    dfh_->set_method("DIRECT_iaQ");
     dfh_->set_nthreads(nthread);
     dfh_->set_metric_pow(0.0);
     dfh_->initialize();

diff --git a/psi4/src/psi4/libsapt_solver/usapt0.cc b/psi4/src/psi4/libsapt_solver/usapt0.cc
@@ -1968,7 +1968,7 @@ void USAPT0::mp2_terms() {
 
     auto dfh(std::make_shared<DF_Helper>(primary_, mp2fit_));
     dfh->set_memory(memory_ - Cs[0]->nrow() * ncol);
-    dfh->set_method("DIRECT");
+    dfh->set_method("DIRECT_iaQ");
     dfh->set_nthreads(nT);
     dfh->initialize();