Support to any number of nproj

Added flags to support the use of a different number of projections than the full space.

Author: carlosevmoura

pyci/fanpt/base_fanpt_container.py

@@ -171,12 +171,12 @@ def __init__(
         if ham_ci_op:
             self.ham_ci_op = ham_ci_op
         else:
-            self.ham_ci_op = pyci.sparse_op(self.ham, self.fanci_wfn.wfn, self.fanci_wfn.nproj)
+            self.ham_ci_op = pyci.sparse_op(self.ham, self.fanci_wfn.wfn, self.fanci_wfn.nproj, symmetric=False)
         if f_pot_ci_op:
             self.f_pot_ci_op = f_pot_ci_op
         else:
             self.f_pot = FANPTContainer.linear_comb_ham(self.ham1, self.ham0, 1.0, -1.0)
-            self.f_pot_ci_op = pyci.sparse_op(self.f_pot, self.fanci_wfn.wfn, self.fanci_wfn.nproj)
+            self.f_pot_ci_op = pyci.sparse_op(self.f_pot, self.fanci_wfn.wfn, self.fanci_wfn.nproj, symmetric=False)
         if ovlp_s:
             self.ovlp_s = ovlp_s
         else:

pyci/fanpt/fanpt_updater.py

@@ -335,7 +335,7 @@ def energy_ham_ovlp_updater(self):
             self.fanpt_container.ham1, self.fanpt_container.ham0, self.final_l, 1 - self.final_l
         )
         new_ham_op = pyci.sparse_op(
-            new_ham, self.fanpt_container.fanci_wfn.wfn, self.fanpt_container.nproj
+            new_ham, self.fanpt_container.fanci_wfn.wfn, self.fanpt_container.nproj, symmetric=False
         )
         new_ovlp_s = self.fanpt_container.fanci_wfn.compute_overlap(self.new_wfn_params, "S")
         f = np.empty(self.fanpt_container.nproj, dtype=pyci.c_double)