FriendsofECCE/ECCE

Issues

• Build fails: error: 'GLUquadricObj' does not name a type

  #36 opened 6 years ago by yurivict
  3

• Many app Makefiles are out of date missing dependencies on libjpeg and libfreetype

  #41 opened 3 years ago by hjjvandam
  1

• Case insensitive name collisions

  #40 opened 6 years ago by joshuata
  0

• ECCE on openSUSE (looks good so far)

  #39 opened 6 years ago by DetlevCM
  0

• Add support for ORCA

  #38 opened 6 years ago by DetlevCM
  6

• Build fails

  #35 opened 6 years ago by yurivict
  2

• Lots of warnings: dynamic exception specifications are deprecated in C++11

  #37 opened 6 years ago by yurivict
  0

• Replace build_ecce with a more standard way of compiling

  #16 opened 8 years ago by ohlincha
  4

• wxWidgets 2.8 Unicode Support

  #34 opened 7 years ago by dustinrb
  2

• Parsing of GEOMTRACE for Gaussian calcs: Standard vs Input orientation

  #33 opened 7 years ago by ohlincha
  0

• dft grid size in different versions of gaussian

  #32 opened 7 years ago by ohlincha
  1

• Update bundled NWChem version to latest

  #10 opened 7 years ago by ohlincha
  2

• Add G16 specific support

  #17 opened 7 years ago by ohlincha
  0

• ECCE doesn't build on debian 9

  #31 opened 7 years ago by ohlincha
  18

• Migrate 3rd Party Libraries to Platform Provided Versions

  #30 opened 8 years ago by dustinrb
  0

• gaussian-03.desc needs to be checked

  #7 opened 8 years ago by ohlincha
  0

• nwchem.desc needs to be checked

  #6 opened 8 years ago by ohlincha
  0

• ECCE depends on bundled packages

  #4 opened 8 years ago by ohlincha
  0

• G03/09 parser: importing gaussian log file -- " Warning: This calculation does not have a valid basis set. Orbitals cannot be computed."

  #29 opened 8 years ago by ohlincha
  3

• G03/9 parser: Mixed basis set display MO issue

  #28 opened 8 years ago by ohlincha
  0

• ECCE cannot be built on OSX

  #3 opened 8 years ago by ohlincha
  0

• ECCE crashes due to too many open files

  #5 opened 8 years ago by ohlincha
  1

• Investigate compiling ECCE under cygwin

  #18 opened 8 years ago by ohlincha
  0

• Provide a tutorial for 1) installation 2) modifying queues and 3) getting started with simple calcs

  #12 opened 8 years ago by ohlincha
  0

• A proper User Manual needs to be written

  #13 opened 8 years ago by ohlincha
  0

• A quick introduction to contributing to development is needed

  #14 opened 8 years ago by ohlincha
  0

• Standardised testing of builds

  #15 opened 8 years ago by ohlincha
  0

• G03/9 parser: TD-DFT jobs show up as failed.

  #25 opened 8 years ago by ohlincha
  6

• G03/9 parser: sometimes geometry trace doesn't get read/displayed properly.

  #24 opened 8 years ago by ohlincha
  4

• G03/9 Parser -- computations with symmetry show up as failing

  #26 opened 8 years ago by ohlincha
  3

• G03/9 parser: Impossible to see whether orbital virtual or occupied with nosymm

  #23 opened 8 years ago by ohlincha
  6

• Gaussian 09 -- Assertion (false) failed trying to access out-of-bounds index in PropTSVecTable ASSERTION PropTSVecTable.C:126

  #27 opened 8 years ago by ohlincha
  0

• ECCE suffers random, rare segfaults

  #2 opened 8 years ago by ohlincha
  0

• Remove support for AMICA

  #11 opened 8 years ago by ohlincha
  0

• Remove support for G98

  #19 opened 8 years ago by ohlincha
  0

• Add support for Dalton

  #20 opened 8 years ago by ohlincha
  0

• Add support for Gamess US

  #21 opened 8 years ago by ohlincha
  0

• Check if reported DirDyVTST error is reproducible

  #22 opened 8 years ago by ohlincha
  0

• Add SCRF to MP2 dialogue in Gaussian

  #1 opened 8 years ago by ohlincha
  1

• nwchem.desc needs to be fixed/proof-read in base and stable branches

  #8 opened 8 years ago by ohlincha
  0

• Add explicit Gaussian-09 support

  #9 opened 8 years ago by ohlincha
  2