nutjunkie/IQmol

Issues

• Saving Picture in MacOS Ventura is broken

  #67 opened 2 years ago by peverati
  0

• server configuration import not working

  #66 opened 2 years ago by sakul-45
  0

• Ubuntu 22 Support?

  #63 opened 2 years ago by Polydynamical
  8

• Can't submit jobs to Q-Chem's server – SSL handshake failed

  #65 opened 2 years ago by peverati
  2

• Using Openbabel3

  #54 opened 3 years ago by sagitter
  5

• No queues found on server error with fresh 2.15.3 install - server misconfiguration?

  #64 opened 2 years ago by Ecaloota
  3

• Reindexing Atoms Unclear

  #62 opened 2 years ago by morrismuehl
  0

• Job list causes delayed startup

  #61 opened 3 years ago by rpsteele
  0

• Vibrational frequencies not viewable from fchk file

  #60 opened 3 years ago by rpsteele
  0

• Geometry not propagating after job returns

  #56 opened 3 years ago by rpsteele
  1

• Lineshape function in vibrational viewer does not adjust to range

  #59 opened 3 years ago by rpsteele
  0

• Default vibrational spectrum range omits high-frequency transitions

  #58 opened 3 years ago by rpsteele
  0

• Atom highlighting flaky

  #57 opened 3 years ago by rpsteele
  0

• copy and paste molecule fragment

  #34 opened 6 years ago by timpaula
  1

• CMake files don't work

  #51 opened 3 years ago by mindeye33
  0

• Status Update

  #49 opened 4 years ago by chiensh
  1

• setting local server windows 10

  #48 opened 4 years ago by defanet
  0

• Missing names in some xyz files

  #47 opened 4 years ago by SomeAnonimCoder
  0

• ssh remote connection error

  #46 opened 4 years ago by kristirme
  0

• IQmol 2.14 crashes on virtual machines with no gpu

  #45 opened 4 years ago by Angelworks
  2

• NBOs in IQmol

  #41 opened 4 years ago by felixplasser
  2

• Ubuntu 18 compilation trouble

  #32 opened 6 years ago by freecurve
  1

• Job submission via Q-Chem server fails

  #42 opened 4 years ago by felixplasser
  2

• CIS/TDDFT excited states

  #40 opened 4 years ago by felixplasser
  2

• IQmol 2.14.0 does not compile

  #35 opened 5 years ago by susilehtola
  4

• Cannot setup geometries for Freezing String Method jobs

  #39 opened 5 years ago by slipchenko
  0

• Job Monitor won't clear lists, and returns tons of popups

  #38 opened 5 years ago by dashariaty
  0

• executable does not start

  #37 opened 5 years ago by KatharinaDD
  0

• How to generate the symmetry information directly?

  #36 opened 5 years ago by sym823808458
  0

• feature request: z-matrix as input

  #33 opened 6 years ago by timpaula
  4

• Cannot find source file: Qui/QCJob.C

  #31 opened 6 years ago by yurivict
  0

• Build fails: Unknown CMake command "qt4_wrap_cpp"

  #28 opened 6 years ago by yurivict
  0

• Permission Problem on setting sever.

  #30 opened 6 years ago by idtwar
  0

• Add carbonyl (-C≡O) fragment

  #27 opened 6 years ago by susilehtola
  0

• Missing header file Qui/QCJob.h in master

  #26 opened 7 years ago by ZQyou
  0

• Proposal for iqmol

  #25 opened 7 years ago by arie1985
  0

• proposal logo for the web

  #24 opened 7 years ago by noviantiidr
  0

• Tag and IQmol version will not update if main.C is not touched

  #22 opened 7 years ago by ZQyou
  0

• EOM-CCSD Single point does not run

  #21 opened 7 years ago by lambrw91
  1

• Feature request

  #20 opened 7 years ago by adpnm
  0

• Cannot load Qt platforms in Windows! Error

  #19 opened 8 years ago
  2

• Feature request: plot localized orbital sections

  #18 opened 8 years ago by berquist
  0

• libopenbabel.so.4 and libopenbabel.so.5

  #17 opened 8 years ago by stefabat
  2

• Silent uninstaller does not completely remove IQmol 2.8.0 from machine.

  #16 opened 8 years ago by brismithPDX
  0

• Cannot save eps format on Windows

  #15 opened 8 years ago
  0

• fix sleep function in src/Network/SshReply.C

  #12 opened 9 years ago by pavel-po
  1

• src/Data/Serialization.h fails to compile with Boost 1.59.0

  #14 opened 9 years ago by susilehtola
  2

• config issues

  #10 opened 9 years ago by pavel-po
  3

• can't save a molecule file

  #13 opened 9 years ago by pavel-po
  1

• ssh security issue

  #11 opened 9 years ago by pavel-po
  0