Skip to content

Commit 204bd2f

Browse files
jevandezandeawvwgk
andauthored
Fixes invalid escape sequences (#78)
Uses raw strings to supress the `SyntaxWarning` thrown by python3.12 Co-authored-by: Sebastian Ehlert <28669218+awvwgk@users.noreply.github.com>
1 parent cbaae10 commit 204bd2f

File tree

2 files changed

+5
-5
lines changed

2 files changed

+5
-5
lines changed

assets/ci/build-env.yaml

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -3,7 +3,7 @@ channels:
33
- conda-forge
44
dependencies:
55
- meson 0.58.0
6-
- fpm 0.3.0
6+
- fpm
77
- cmake
88
- ninja
99
- gcovr

python/dftd3/interface.py

Lines changed: 4 additions & 4 deletions
Original file line numberDiff line numberDiff line change
@@ -199,7 +199,7 @@ def new_param(**kwargs):
199199

200200

201201
class RationalDampingParam(DampingParam):
202-
"""
202+
r"""
203203
Rational damping function for DFT-D3.
204204
The original scheme was proposed by Becke and Johnson\ :footcite:`becke2005,johnson2005,johnson2006`
205205
and implemented in a slightly adjusted form using only the C8/C6 ratio in the critical
@@ -238,7 +238,7 @@ def new_param(*, s6=1.0, s8, s9=1.0, a1, a2, alp=14.0):
238238

239239

240240
class ZeroDampingParam(DampingParam):
241-
"""
241+
r"""
242242
Original DFT-D3 damping function,\ :footcite:`grimme2010` based on a variant proposed by
243243
Chai and Head-Gordon.\ :footcite:`chai2008`
244244
Since it is damping the dispersion energy to zero at short distances it is usually
@@ -309,7 +309,7 @@ def new_param(*, s6=1.0, s8, s9=1.0, a1, a2, alp=14.0):
309309

310310

311311
class ModifiedZeroDampingParam(DampingParam):
312-
"""
312+
r"""
313313
Modified zero damping function for DFT-D3.\ :footcite:`smith2016`
314314
This scheme adds an additional offset parameter to the zero damping scheme
315315
of the original DFT-D3.
@@ -348,7 +348,7 @@ def new_param(*, s6=1.0, s8, s9=1.0, rs6, rs8=1.0, alp=14.0, bet):
348348

349349

350350
class OptimizedPowerDampingParam(DampingParam):
351-
"""
351+
r"""
352352
Optimized power version of the rational damping parameters.\ :footcite:`witte2017`
353353
The functional form of the damping function is modified by adding an additional
354354
zero-damping like power function.

0 commit comments

Comments
 (0)