molmod/tamkin issues and pull requests

#43 - test_vsa_no_mass fails

Issue - State: open - Opened by Flamefire 8 months ago - 2 comments

#42 - Update README.rst

Pull Request - State: closed - Opened by eric-gitta-moore 11 months ago

#41 - Ubuntu focal Python37 installation fail

Issue - State: open - Opened by james-curtis 11 months ago

#40 - Bug in tamkin.io.trajectory.py

Issue - State: open - Opened by jeveki over 1 year ago

#39 - Analysis for ADF output files

Issue - State: open - Opened by IliasChair over 3 years ago

#38 - Molpro output parser

Pull Request - State: open - Opened by zhaiyusci about 4 years ago - 3 comments

#37 - Read Molpro output

Issue - State: open - Opened by zhaiyusci about 4 years ago - 2 comments

#36 - Change true to integer division

Pull Request - State: closed - Opened by tovrstra about 4 years ago - 1 comment

#35 - Update install.rst

Pull Request - State: open - Opened by mefuller over 4 years ago

#34 - installation in windows 10

Issue - State: open - Opened by IsaacBlanco1 over 4 years ago - 3 comments

#33 - Replace nosetests by PyTest

Pull Request - State: closed - Opened by tovrstra over 4 years ago - 1 comment

#32 - Do not use relative paths with pkg_resources

Pull Request - State: closed - Opened by tovrstra over 4 years ago - 1 comment

#31 - Drop timer module

Pull Request - State: closed - Opened by tovrstra over 4 years ago - 1 comment

#30 - Update install.rst

Pull Request - State: closed - Opened by mefuller over 4 years ago - 2 comments

#29 - update time calls for python3.8

Pull Request - State: closed - Opened by mefuller over 4 years ago - 3 comments

#28 - Update installation instructions (Fedora/Python 3)

Issue - State: closed - Opened by mefuller over 4 years ago - 1 comment

#27 - nosetest fail: timer.py

Issue - State: closed - Opened by mefuller over 4 years ago - 1 comment

#26 - Update installation instructions (Ubuntu/Python 3)

Issue - State: closed - Opened by mefuller over 4 years ago - 1 comment

#25 - Function to read/return ORCA single point energy

Pull Request - State: open - Opened by mefuller over 4 years ago

#24 - Renamed aux.rst to auxiliary.rst

Pull Request - State: closed - Opened by Gabriel-Rath over 4 years ago

#23 - nosetests molmod fails

Issue - State: closed - Opened by wk858834 almost 5 years ago - 12 comments

#22 - Fix typo in Gaussian normal mode output

Pull Request - State: closed - Opened by tovrstra almost 5 years ago - 1 comment

#21 - Update installation instructions with conda-forge packages

Issue - State: closed - Opened by tovrstra about 5 years ago

#20 - Fix print statement

Pull Request - State: closed - Opened by jan-janssen about 5 years ago - 5 comments

#19 - Enable CI with Python 3.7

Pull Request - State: closed - Opened by tovrstra about 5 years ago - 3 comments

#18 - Python 3 related fixes

Pull Request - State: closed - Opened by jan-janssen about 5 years ago - 10 comments

#17 - Update manifest to include COPYING

Pull Request - State: closed - Opened by jan-janssen about 5 years ago - 2 comments

#16 - nosetests -v tamkin

Issue - State: closed - Opened by raghavven about 5 years ago - 8 comments

#15 - Probably bug in cp2k.py

Issue - State: open - Opened by antoscha almost 6 years ago - 2 comments

#14 - Python 2 style 'print' being used in Python 3?

Issue - State: closed - Opened by mathemaphysics about 6 years ago - 5 comments

#13 - Installation of Tamkin Software

Issue - State: closed - Opened by cmaarora about 6 years ago - 2 comments

#12 - Zipunsafe

Pull Request - State: closed - Opened by tovrstra over 6 years ago

#11 - 0 tests

Issue - State: open - Opened by SidraFirdous over 6 years ago - 2 comments

#10 - Molmodbot

Pull Request - State: closed - Opened by tovrstra about 7 years ago - 1 comment