Skip to content

Commit fa79adf

Browse files
committed
Implement sensitivity for SurfaceReactor
This adds a Jacobian function (the same one copied over from SimpleReactor) so that we can run get sensitivities from a SurfaceReactor
1 parent 3b4b7b1 commit fa79adf

2 files changed

Lines changed: 495 additions & 4 deletions

File tree

rmgpy/solver/base.pyx

Lines changed: 2 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -714,7 +714,8 @@ cdef class ReactionSystem(DASx):
714714
if sensitivity:
715715
time_array = []
716716
norm_sens_array = [[] for spec in self.sensitive_species]
717-
RTP = constants.R * self.T.value_si / self.P.value_si
717+
if not self.constant_volume:
718+
RTP = constants.R * self.T.value_si / self.P.value_si
718719
# identify sensitive species indices
719720
sens_species_indices = np.array([species_index[spec] for spec in self.sensitive_species],
720721
int) # index within core_species list of the sensitive species

0 commit comments

Comments
 (0)