Skip to content

Commit 5742128

Browse files
committed
Fix typos
1 parent ab6c508 commit 5742128

File tree

2 files changed

+4
-4
lines changed

2 files changed

+4
-4
lines changed

examples/ewf/molecules/65-callback-solver-dms.py

+1-1
Original file line numberDiff line numberDiff line change
@@ -39,7 +39,7 @@ def solver(mf):
3939
bath_opts = dict(bathtype="dmet")
4040

4141
# Run vayesta with user defined solver
42-
emb = vayesta.ewf.EWF(mf, solver="CALLBACK", energy_functional='dm', bath_options=bath_opts, solver_options=dict(callback=solver))
42+
emb = vayesta.ewf.EWF(mf, solver="CALLBACK", energy_functional='dmet', bath_options=bath_opts, solver_options=dict(callback=solver))
4343
# Set up fragments
4444
with emb.iao_fragmentation() as f:
4545
if use_sym:

vayesta/ewf/ewf.py

+3-3
Original file line numberDiff line numberDiff line change
@@ -224,9 +224,9 @@ def t1_diagnostic(self, warntol=0.02):
224224
nelec = 2 * t1.shape[0]
225225
t1diag = np.linalg.norm(t1) / np.sqrt(nelec)
226226
if t1diag >= warntol:
227-
self.log.warning("T1 diagnostic for %-20s %.5f", str(f) + ":", t1diag)
227+
self.log.warning("T1 diagnostic for %-20s %.5f", str(fx) + ":", t1diag)
228228
else:
229-
self.log.info("T1 diagnostic for %-20s %.5f", str(f) + ":", t1diag)
229+
self.log.info("T1 diagnostic for %-20s %.5f", str(fx) + ":", t1diag)
230230
# Global
231231
t1 = self.get_global_t1(mpi_target=0)
232232
if mpi.is_master:
@@ -319,7 +319,7 @@ def get_e_corr(self, functional=None, **kwargs):
319319
# Builds density matrices from projected amplitudes
320320
return self.get_dm_corr_energy(**kwargs)
321321
if functional == 'dmet':
322-
# Uses projected denisty matrices
322+
# Uses projected density matrices
323323
return self.get_dmet_energy(**kwargs)
324324
raise ValueError("Unknown energy functional: '%s'" % functional)
325325

0 commit comments

Comments
 (0)