- 09 Nov, 2022 2 commits
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Ian H. Godtliebsen authored
Added stand-alone GPR example See merge request midascpp_development/midascpp_examples!46
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- 07 Nov, 2022 2 commits
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Ian H. Godtliebsen authored
Watson example See merge request midascpp_development/midascpp_examples!45
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- 08 Dec, 2021 2 commits
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Denis Artiukhin authored
Lha example Closes #30 See merge request midascpp_development/midascpp_examples!44
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- 25 Aug, 2021 2 commits
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Bo Thomsen authored
Readme update See merge request midascpp_development/midascpp_examples!43
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- 28 Apr, 2021 1 commit
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Ian H. Godtliebsen authored
Updated examples to use #0MidasMolecule and #0MidasOperator See merge request midascpp_development/midascpp_examples!42
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- 12 Apr, 2021 1 commit
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Bo Thomsen authored
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- 27 Oct, 2020 2 commits
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Ian H. Godtliebsen authored
Normalcoord ortho fix See merge request midascpp_development/midascpp_examples!41
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Ian H. Godtliebsen authored
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- 13 May, 2020 2 commits
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Niels Kristian Kjærgård Madsen authored
Sets type for all operators See merge request midascpp_development/midascpp_examples!40
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- 27 Apr, 2020 4 commits
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Gunnar Schmitz authored
added mlearn to tests See merge request midascpp_development/midascpp_examples!39
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Ian H. Godtliebsen authored
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Ian H. Godtliebsen authored
MLearn examples See merge request midascpp_development/midascpp_examples!31
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- 23 Apr, 2020 2 commits
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Ian H. Godtliebsen authored
Minor change See merge request midascpp_development/midascpp_examples!38
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Denis Artiukhin authored
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- 09 Apr, 2020 2 commits
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Ian H. Godtliebsen authored
Updates gitlab-ci Yaml file Closes #22, #23, and #24 See merge request midascpp_development/midascpp_examples!37
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Ian H. Godtliebsen authored
This is attached when MidasCpp triggers a build of examples
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- 07 Apr, 2020 2 commits
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Gunnar Schmitz authored
Pes_fix Closes #20, #19, #18, and #17 See merge request midascpp_development/midascpp_examples!36
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Removed molrpo examples from testing yet keeping them in the folder as they work for a non-broken version of Molrpo
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- 30 Mar, 2020 2 commits
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Ian H. Godtliebsen authored
Ci if fix Closes #21 See merge request midascpp_development/midascpp_examples!35
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Ian H. Godtliebsen authored
are run without problems
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- 24 Mar, 2020 2 commits
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Ian H. Godtliebsen authored
Mctdh examples See merge request midascpp_development/midascpp_examples!34
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- 17 Mar, 2020 2 commits
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Ian H. Godtliebsen authored
MCTDH examples See merge request midascpp_development/midascpp_examples!32
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- 07 Feb, 2020 2 commits
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Ian H. Godtliebsen authored
Tried to fix coordinate tests (new input from mscoord branch) See merge request midascpp_development/midascpp_examples!30
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- 04 Nov, 2019 2 commits
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Gunnar Schmitz authored
Add gitlab ci automatic test to midascpp examples Closes #16, #15, #14, #13, #12, and #6 See merge request midascpp_development/midascpp_examples!29
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update run_example to return exit code of midas command
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- 28 Oct, 2019 2 commits
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Ian H. Godtliebsen authored
added gitlab ci yml file See merge request midascpp_development/midascpp_examples!28
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Ian H. Godtliebsen authored
also updated gitignore
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- 04 Jul, 2019 2 commits
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Emil Lund Klinting authored
Adapted surface test cases for changes in the input file See merge request midascpp_development/midascpp_examples!27
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Gunnar Schmitz authored
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- 02 Apr, 2019 2 commits
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Ian H. Godtliebsen authored
Minp mout See merge request midascpp_development/midascpp_examples!26
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Ian H. Godtliebsen authored
inp -> minp out -> mout mol -> mmol also updated the run_example script to use the new midascpp executable
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