Skip to content

Commit 643259b

Browse files
authored
Merge pull request #2967 from ReactionMechanismGenerator/release/v4.0.0
RMG-Py v4.0.0 🎉
2 parents 9901968 + 58b084b commit 643259b

236 files changed

Lines changed: 402 additions & 244 deletions

File tree

Some content is hidden

Large Commits have some content hidden by default. Use the searchbox below for content that may be hidden.

.conda/meta.yaml

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -9,7 +9,7 @@
99
#
1010
package:
1111
name: rmg
12-
version: 4.0.0.rc1
12+
version: 4.0.0
1313

1414
source:
1515
path: ../
@@ -68,7 +68,7 @@ requirements:
6868
- rmg::pydas >=1.0.3
6969
- rmg::pydqed >=1.0.3
7070
- rmg::symmetry
71-
- rmg::rmgdatabase =4.0.0.rc1
71+
- rmg::rmgdatabase =4.0.0
7272
- blas=*=openblas
7373
run: *runtime_requirements
7474
test:

Arkane.py

Lines changed: 29 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -1,3 +1,32 @@
1+
#!/usr/bin/env python3
2+
3+
###############################################################################
4+
# #
5+
# RMG - Reaction Mechanism Generator #
6+
# #
7+
# Copyright (c) 2002-2026 Prof. William H. Green (whgreen@mit.edu), #
8+
# Prof. Richard H. West (r.west@neu.edu) and the RMG Team (rmg_dev@mit.edu) #
9+
# #
10+
# Permission is hereby granted, free of charge, to any person obtaining a #
11+
# copy of this software and associated documentation files (the 'Software'), #
12+
# to deal in the Software without restriction, including without limitation #
13+
# the rights to use, copy, modify, merge, publish, distribute, sublicense, #
14+
# and/or sell copies of the Software, and to permit persons to whom the #
15+
# Software is furnished to do so, subject to the following conditions: #
16+
# #
17+
# The above copyright notice and this permission notice shall be included in #
18+
# all copies or substantial portions of the Software. #
19+
# #
20+
# THE SOFTWARE IS PROVIDED 'AS IS', WITHOUT WARRANTY OF ANY KIND, EXPRESS OR #
21+
# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, #
22+
# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE #
23+
# AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER #
24+
# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING #
25+
# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER #
26+
# DEALINGS IN THE SOFTWARE. #
27+
# #
28+
###############################################################################
29+
130
from arkane import __main__
231

332
if __name__ == "__main__":

LICENSE.txt

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -1,4 +1,4 @@
1-
Copyright (c) 2002-2023 Prof. William H. Green (whgreen@mit.edu),
1+
Copyright (c) 2002-2026 Prof. William H. Green (whgreen@mit.edu),
22
Prof. Richard H. West (r.west@neu.edu) and the RMG Team (rmg_dev@mit.edu)
33

44
Permission is hereby granted, free of charge, to any person obtaining a

arkane/__init__.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -4,7 +4,7 @@
44
# #
55
# RMG - Reaction Mechanism Generator #
66
# #
7-
# Copyright (c) 2002-2023 Prof. William H. Green (whgreen@mit.edu), #
7+
# Copyright (c) 2002-2026 Prof. William H. Green (whgreen@mit.edu), #
88
# Prof. Richard H. West (r.west@neu.edu) and the RMG Team (rmg_dev@mit.edu) #
99
# #
1010
# Permission is hereby granted, free of charge, to any person obtaining a #

arkane/__main__.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -4,7 +4,7 @@
44
# #
55
# RMG - Reaction Mechanism Generator #
66
# #
7-
# Copyright (c) 2002-2023 Prof. William H. Green (whgreen@mit.edu), #
7+
# Copyright (c) 2002-2026 Prof. William H. Green (whgreen@mit.edu), #
88
# Prof. Richard H. West (r.west@neu.edu) and the RMG Team (rmg_dev@mit.edu) #
99
# #
1010
# Permission is hereby granted, free of charge, to any person obtaining a #

arkane/common.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -4,7 +4,7 @@
44
# #
55
# RMG - Reaction Mechanism Generator #
66
# #
7-
# Copyright (c) 2002-2023 Prof. William H. Green (whgreen@mit.edu), #
7+
# Copyright (c) 2002-2026 Prof. William H. Green (whgreen@mit.edu), #
88
# Prof. Richard H. West (r.west@neu.edu) and the RMG Team (rmg_dev@mit.edu) #
99
# #
1010
# Permission is hereby granted, free of charge, to any person obtaining a #

arkane/encorr/__init__.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -4,7 +4,7 @@
44
# #
55
# RMG - Reaction Mechanism Generator #
66
# #
7-
# Copyright (c) 2002-2023 Prof. William H. Green (whgreen@mit.edu), #
7+
# Copyright (c) 2002-2026 Prof. William H. Green (whgreen@mit.edu), #
88
# Prof. Richard H. West (r.west@neu.edu) and the RMG Team (rmg_dev@mit.edu) #
99
# #
1010
# Permission is hereby granted, free of charge, to any person obtaining a #

arkane/encorr/ae.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -4,7 +4,7 @@
44
# #
55
# RMG - Reaction Mechanism Generator #
66
# #
7-
# Copyright (c) 2002-2023 Prof. William H. Green (whgreen@mit.edu), #
7+
# Copyright (c) 2002-2026 Prof. William H. Green (whgreen@mit.edu), #
88
# Prof. Richard H. West (r.west@neu.edu) and the RMG Team (rmg_dev@mit.edu) #
99
# #
1010
# Permission is hereby granted, free of charge, to any person obtaining a #

arkane/encorr/bac.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -4,7 +4,7 @@
44
# #
55
# RMG - Reaction Mechanism Generator #
66
# #
7-
# Copyright (c) 2002-2023 Prof. William H. Green (whgreen@mit.edu), #
7+
# Copyright (c) 2002-2026 Prof. William H. Green (whgreen@mit.edu), #
88
# Prof. Richard H. West (r.west@neu.edu) and the RMG Team (rmg_dev@mit.edu) #
99
# #
1010
# Permission is hereby granted, free of charge, to any person obtaining a #

arkane/encorr/corr.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -4,7 +4,7 @@
44
# #
55
# RMG - Reaction Mechanism Generator #
66
# #
7-
# Copyright (c) 2002-2023 Prof. William H. Green (whgreen@mit.edu), #
7+
# Copyright (c) 2002-2026 Prof. William H. Green (whgreen@mit.edu), #
88
# Prof. Richard H. West (r.west@neu.edu) and the RMG Team (rmg_dev@mit.edu) #
99
# #
1010
# Permission is hereby granted, free of charge, to any person obtaining a #

0 commit comments

Comments
 (0)