Ecosyste.ms: Issues

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GitHub / SCM-NV/nano-qmflows issues and pull requests

#297 - Add alpha omega multipole entries for unrestricted calculation

Issue - State: closed - Opened by felipeZ about 4 years ago - 1 comment
Labels: enhancement

#296 - Coupling workflow: launch-file tries to copy wrong hamiltonians

Issue - State: closed - Opened by IndyduFosse about 4 years ago - 3 comments
Labels: bug

#295 - Coupling workflow index error(?)

Issue - State: closed - Opened by IndyduFosse about 4 years ago - 1 comment
Labels: bug

#294 - fixed typo

Pull Request - State: closed - Opened by felipeZ about 4 years ago

#291 - solved issue #290

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

#288 - Overhaul of the analysis tools functions

Pull Request - State: closed - Opened by iinfant76 about 4 years ago - 1 comment

#287 - solved #286

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

#285 - fix #283 by running alphas and betas in same workflow

Pull Request - State: closed - Opened by felipeZ about 4 years ago

#284 - Unrestricted calculations for COOP/IPR/etc workflows

Issue - State: open - Opened by IndyduFosse about 4 years ago - 4 comments
Labels: enhancement

#280 - Coop coordination

Pull Request - State: open - Opened by juliette1996 about 4 years ago - 3 comments

#279 - Compute both alphas/betas couplings simultaneously

Pull Request - State: closed - Opened by felipeZ about 4 years ago

#274 - Update plot_states_pops.py

Pull Request - State: closed - Opened by iinfant76 about 4 years ago - 1 comment

#266 - made cp2k executable settings more flexible #264

Pull Request - State: closed - Opened by felipeZ about 4 years ago

#263 - Multivalue

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

#217 - Update dataset.csv

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

#150 - Error output file

Issue - State: closed - Opened by iinfant76 over 5 years ago - 1 comment
Labels: enhancement

#86 - Implementing exciton descriptors

Issue - State: open - Opened by iinfant76 about 6 years ago - 1 comment
Labels: enhancement