compas/grasp

Issues

• rmcdhf_mpi's issue

  #126 opened 5 months ago by hyh2022
  0

• Hi, a new problem:

  #125 opened 6 months ago by bingxin377
  0

• Hi, a new problem:

  #124 opened 6 months ago by bingxin377
  0

• Hi,

  #123 opened 6 months ago by bingxin377
  0

• Iinstallation issues

  #122 opened 6 months ago by bingxin377
  0

• Finite-size nucleus for small nuclei problematic for rnucleus

  #121 opened 9 months ago by jagot
  0

• Radial grid parameters in rci

  #120 opened 10 months ago by tarjear
  0

• Mismatch error in file grasp/src/lib/lib9290/iniest2

  #115 opened a year ago by amilton10
  2

• CSF's issue

  #119 opened 10 months ago by zhaojingyan3
  0

• rangular_mpi's issue

  #118 opened 10 months ago by zhaojingyan3
  0

• JJ2LSJ'issue

  #117 opened a year ago by zhaojingyan3
  2

• merge function in rcsfgenerate

  #116 opened a year ago by mzmansour
  0

• rmcdhf,ASF serial numbers

  #114 opened a year ago by zhaojingyan3
  2

• Compile issues by gcc-13

  #112 opened a year ago by jinzhezhang020
  6

• Compile src/lib/mpi90 issues with intel oneAPI ifort

  #113 opened a year ago by YenochQin
  3

• Changing the default grid parameters of the package.

  #111 opened a year ago by tarjear
  0

• Running the ris4 , rhfs and rhfszeeman packages takes a significant amount of time

  #109 opened a year ago by gordontk
  2

• Uncertainty parameter dT wrongly defined

  #108 opened 2 years ago by s-rathi
  2

• jjgen: "more than 20 subshells"

  #107 opened 2 years ago by JonnoDean
  0

• rangular_mpi Eorror in '...': free(): invalid next size (fast):$

  #106 opened 2 years ago by JonnoDean
  2

• SETPOT: Grid of insufficient extent

  #103 opened 2 years ago by mtabulo
  1

• rwfestimate90

  #104 opened 2 years ago by mzmansour
  0

• RCI contribution of H

  #102 opened 2 years ago by AnjaApp
  1

• Changing parameters in the package

  #101 opened 2 years ago by mkkarlsen
  0

• rmcdhf_mem meminfo on MacOS

  #100 opened 2 years ago by jongrumer
  1

• rcsfinteract triple excitations

  #99 opened 2 years ago by mkkarlsen
  2

• rmcdhf_mpi performance issue

  #98 opened 2 years ago by mkkarlsen
  3

• Segmentation fault - invalid memory reference

  #97 opened 2 years ago by mkkarlsen
  0

• rcsfinteract "Different order of Peel orbitals"

  #95 opened 2 years ago by mkkarlsen
  2

• new rwfnestimate

  #89 opened 2 years ago by YenochQin
  2

• node counting threshold parameter

  #87 opened 3 years ago by cffischer
  0

• Request for new features of rtabtrans1+rtabtrans2

  #86 opened 3 years ago by jongrumer
  0

• add topic quantum-chemistry

  #80 opened 3 years ago by Beliavsky
  1

• setmcp: nblock=0 issue when running rmcdhf_mpi on HPC cluster

  #78 opened 3 years ago by momierr
  6

• when compile grasp/src/lib/lib9290/iniest2.f90:82:23

  #76 opened 3 years ago by hf6391964
  13

• Fix argument mismatches in the code base

  #77 opened 3 years ago by mortenpi
  0

• rtab*.f90 code

  #73 opened 3 years ago by YenochQin
  0

• How to solve the problem "Angular file not available" in rtransition program

  #72 opened 3 years ago by YenochQin
  3

• Biorthonormal transformation (rbiotransform)

  #71 opened 3 years ago by mzmansour
  0

• Remove -fno-automatic in CMakeLists.txt

  #67 opened 4 years ago by mortenpi
  0

• How to improve the usage of computer on rmcdhf_mpi calculation?

  #66 opened 4 years ago by YenochQin
  7

• convergence issue

  #62 opened 4 years ago by mzmansour
  14

• running rangular_mpi and rmchdf_mpi very slow

  #61 opened 4 years ago by hf6391964
  0

• Running MPI tests on ubuntu-latest (20.04) CI fails

  #59 opened 4 years ago by mortenpi
  0

• MPI Runtime killed on signal 9 in rangular_mpi

  #58 opened 4 years ago by YenochQin
  5

• Installation of the package under csh

  #57 opened 4 years ago by hgesc
  3

• Readme/installation improvement

  #50 opened 4 years ago by jongrumer
  1

• gfortran-10 rank missmatch now gives errors - with temporary fix

  #54 opened 4 years ago by jongrumer
  0

• Gfortran -- compiler optimization

  #47 opened 4 years ago by cffischer
  3

• jj2lsj Level Index Limitations

  #48 opened 4 years ago by StevenBromley
  3