qmcurrents/gimic

Issues

• Compilation successes but the test failed

  #311 opened 4 months ago by Runeluna
  2

• Current profile along z-direction

  #310 opened 7 months ago by joseftomecek
  0

• How to get current profiles

  #309 opened 7 months ago by joseftomecek
  0

• Problem running GIMIC on Ubuntu 23.10

  #308 opened 10 months ago by Quark195
  3

• How to visualize current density vectors?

  #307 opened a year ago by dishu1
  0

• current-profile-cluster.sh

  #306 opened a year ago by chemboyhimanshu
  0

• Error when I try to use gimic

  #299 opened 2 years ago by kimariyb
  3

• <<< ERROR: read_intgrl(): open failed. >>>

  #304 opened a year ago by dishu1
  3

• cdens test error

  #303 opened a year ago by rjl4
  0

• Release, DOI, and citation

  #263 opened a year ago by bast
  26

• Valgrind tests fail on GitHub Actions

  #300 opened a year ago by bast
  2

• write a workflow for using gimic to help new users

  #229 opened 2 years ago by heikef
  22

• Setting up autocmake to compile gimic

  #295 opened 2 years ago by mariavd
  10

• Document minimum supported compiler versions

  #264 opened 2 years ago by bast
  4

• Generation of Gaussian cube files

  #284 opened 2 years ago by felixplasser
  9

• Compilation error: src/libgimic/CMakeFiles/gimic2.dir/gausspoints.c.o] Error 1

  #294 opened 2 years ago by dishu1
  11

• Compilation error with openblas

  #296 opened 2 years ago by mariavd
  1

• Cmake - gimic build problem

  #298 opened 2 years ago by heikef
  2

• missing jvec.txt file

  #293 opened 2 years ago by sjalifej
  1

• Move testing from Travis to GitHub Actions

  #290 opened 3 years ago by bast
  0

• Fortran runtime error: End of file_

  #288 opened 3 years ago by Vivekvdev
  3

• "make test" should check whether runtest is installed/activated

  #255 opened 3 years ago by bast
  2

• Variable number of parametres in the input file

  #287 opened 3 years ago by mariavd
  2

• can not compile gimic any more after moving to python3

  #280 opened 4 years ago by heikef
  31

• cmake and numgrid integration into gimic

  #277 opened 4 years ago by heikef
  7

• cmake3/python3

  #274 opened 4 years ago by lnw
  5

• Include a test for the magnetizability calculation to the test suite

  #273 opened 4 years ago by heikef
  0

• Include a test for the shielding calculation to the test suite

  #272 opened 4 years ago by heikef
  0

• ORCA Support

  #241 opened 4 years ago by JensKrumsieck
  1

• Relativistic calculations

  #268 opened 4 years ago by patrashantigopal
  3

• sign issue of the current strength

  #267 opened 5 years ago by patrashantigopal
  11

• benzene/3d and benzene/3d-keyword-magnet tests failed

  #261 opened 5 years ago by heikef
  26

• check if norm is needed in vti file

  #252 opened 6 years ago by heikef
  1

• timing for read-grid test too long

  #260 opened 6 years ago by heikef
  0

• Adapt vtk output to unstructured grid

  #250 opened 6 years ago by heikef
  1

• How to print jmod.txt

  #256 opened 6 years ago by vbrmk
  2

• Valgrind test is brittle

  #245 opened 6 years ago by bast
  6

• add a citation section into README

  #235 opened 6 years ago by heikef
  2

• how to calculate magnetizability using GIMIC?

  #243 opened 6 years ago by patrashantigopal
  2

• divj

  #242 opened 6 years ago by bergerrjf
  9

• Please check the integration profile

  #236 opened 6 years ago by patrashantigopal
  7

• How to do Integration analysis?

  #238 opened 6 years ago by SKumar1208
  49

• how to do integration of current profile?

  #239 opened 6 years ago by SKumar1208
  3

• How to generate gimic.inp from gaussian optimized files and how to make paraview file from gimic results

  #233 opened 6 years ago by SKumar1208
  31

• Error while plotting in Paraview

  #232 opened 6 years ago by patrashantigopal
  7

• make test failed

  #220 opened 6 years ago by SKumar1208
  29

• Gaussian2Gimic syntax error

  #230 opened 6 years ago by patrashantigopal
  14

• Unable to make 2D acid plot in Paraview

  #227 opened 6 years ago by patrashantigopal
  18

• If valgrind not installed, either do not fail or fail with an informative message

  #219 opened 6 years ago by bast
  7

• jmod = off option not proper working

  #222 opened 6 years ago by heikef
  0