Ecosyste.ms: Issues

An open API service for providing issue and pull request metadata for open source projects.

GitHub / jensengroup/molcalc issues and pull requests

#47 - Optimize and refactor views.py

Issue - State: closed - Opened by Jacobojijo 8 months ago

#44 - Question about Molecular Surface Area on MolCalc

Issue - State: closed - Opened by ashnanirula 9 months ago

#43 - Unable to Navigate to "Help" and "About" Page

Issue - State: closed - Opened by SharanRP 10 months ago - 2 comments

#42 - Feature Request: support larger molecules

Issue - State: closed - Opened by Kbomar925 about 1 year ago - 1 comment
Labels: wontfix

#41 - Too many steps ERROR

Issue - State: closed - Opened by WRoss89 about 1 year ago - 1 comment

#40 - Differences in properties depending on how the compound is feeded

Issue - State: closed - Opened by fjvico over 1 year ago - 5 comments

#39 - Improving MolCalc Experience

Issue - State: open - Opened by gauthcodewiz over 1 year ago - 1 comment

#38 - feature suggest: additional label HOMO/LUMO

Issue - State: closed - Opened by nbehrnd over 1 year ago
Labels: enhancement, wontfix

#37 - No OSS License for MolCalc

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

#35 - OM properties

Issue - State: closed - Opened by paulruta over 2 years ago
Labels: enhancement, wontfix

#34 - Documentation of orbital energies

Issue - State: open - Opened by ktheis almost 3 years ago

#33 - Bug in new version regarding surface area

Issue - State: open - Opened by jhjensen2 about 3 years ago
Labels: bug

#32 - Search can not find 'carbon monoxide'

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

#31 - Again the website isn't working.

Issue - State: closed - Opened by goethepamuk almost 4 years ago - 8 comments
Labels: enhancement, needsfix

#30 - Site Not Working

Issue - State: closed - Opened by goethepamuk almost 4 years ago - 2 comments

#29 - Can not find the ppqm package

Issue - State: open - Opened by lunyang almost 4 years ago - 2 comments
Labels: bug

#28 - Problems with H[-1]

Issue - State: open - Opened by charnley almost 4 years ago
Labels: bug

#27 - Failed cactus call for complicated structure name, in search bar

Issue - State: open - Opened by charnley almost 4 years ago
Labels: bug

#26 - Atomic orbital calculations bug in beta version

Issue - State: closed - Opened by g-orbital about 4 years ago - 4 comments
Labels: bug

#25 - Atomic/ ionic radius

Issue - State: open - Opened by perezyzabelle about 4 years ago - 1 comment
Labels: enhancement

#24 - Solvation calcs fail for halogens

Issue - State: closed - Opened by chemimprov about 4 years ago - 1 comment
Labels: legacy

#23 - Orbital Diagram

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

#22 - Is it working for a single atom? Not a molecule

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

#21 - Diatomic molecules

Issue - State: closed - Opened by g-orbital over 4 years ago - 1 comment
Labels: bug

#20 - Multi-molecules are breaking rdkit checks

Issue - State: closed - Opened by charnley over 4 years ago
Labels: bug

#19 - Quantum calcs fail with halogens

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

#18 - Error message opening Molecule List tab

Issue - State: closed - Opened by andrejrenard almost 6 years ago - 1 comment

#17 - error in the code

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

#16 - error fix

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

#15 - Installation

Issue - State: closed - Opened by vladislavivanistsev over 6 years ago - 12 comments

#14 - Get error when trying to calculate

Issue - State: closed - Opened by pincher-chen over 7 years ago - 1 comment

#13 - Wrong 2D representation for but-2-ene

Issue - State: closed - Opened by larsbratholm over 7 years ago - 1 comment

#12 - Suggestion, adding printout feature

Issue - State: open - Opened by Sigma-7 over 7 years ago - 1 comment
Labels: enhancement

#11 - Errors on two charged molecules

Issue - State: closed - Opened by larsbratholm over 7 years ago - 1 comment

#10 - Orbitals are hidden within the atoms!

Issue - State: closed - Opened by Saesegral almost 8 years ago - 2 comments
Labels: enhancement

#9 - Very often get error when trying to calculate

Issue - State: closed - Opened by Argenteus-CG about 8 years ago - 3 comments
Labels: bug

#8 - Define Bond Length

Issue - State: closed - Opened by petermsmithphd over 8 years ago - 1 comment
Labels: enhancement, wontfix

#7 - ENHANCEMENT: Support for changing multiplicity

Issue - State: open - Opened by exergonic over 9 years ago - 3 comments
Labels: enhancement

#6 - update screenshot

Issue - State: closed - Opened by cstein over 11 years ago
Labels: enhancement, invalid, wontfix

#5 - more than one molecule

Issue - State: closed - Opened by LucaDeVico about 12 years ago - 1 comment
Labels: enhancement

#4 - triple (and double) bonds appearance

Issue - State: closed - Opened by LucaDeVico about 12 years ago - 1 comment
Labels: enhancement

#3 - chrome linux

Issue - State: closed - Opened by charnley over 12 years ago - 1 comment
Labels: bug

#2 - It is possible to continue to the calculation page even though the molecule is deleted

Issue - State: closed - Opened by cstein over 12 years ago - 1 comment
Labels: bug

#1 - Parameters for element He not found

Issue - State: closed - Opened by cstein over 12 years ago - 1 comment
Labels: bug