QuantumPackage/qp2

Issues

• [work-in-progress] possible issue with multi-node cipsi using ORMAS?

  #342 opened 5 months ago by kgasperich
  0

• OpenSUSE problem

  #276 opened 2 years ago by scemama
  1

• Problems with qp run diagonalize_h

  #311 opened a year ago by Navihdz
  3

• QP2 singularity running in parallel (OpenMPI) on multiple nodes

  #306 opened a year ago by bavramidis
  4

• Issues Installing Quantum Package Using zsh Shell

  #312 opened a year ago by djstaros
  2

• Put the .cfg file in the buil.ninja locally in all plugins :)

  #328 opened 8 months ago by eginer
  0

• qp edit feature request

  #322 opened 10 months ago by addman2
  1

• orbital optimization crash with memory issue.

  #319 opened a year ago by anbenali
  2

• Ninja: build stopped: subcommand failed

  #299 opened 2 years ago by Chikakoyanagida
  2

• Type mismatch

  #295 opened 2 years ago by scemama
  1

• A CFG based Configuration Interaction algorithm.

  #143 opened 2 years ago by v1j4y
  0

• Bug Fix for Ms > 0

  #162 opened 2 years ago by v1j4y
  0

• ./configure -c config/gfortran_mpi.cfg

  #221 opened 2 years ago by abigcoder04
  4

• /bin/qp_mpirun

  #217 opened 2 years ago by abigcoder04
  0

• ocaml 4.11 in qp2-dependencies incompatible with glibc>=2.34

  #226 opened 2 years ago by kgasperich
  1

• SCF energy

  #229 opened 2 years ago by abigcoder04
  1

• Issue with print_wf after running CIPSI calculation

  #241 opened 2 years ago by bavramidis
  3

• Software packaging problems

  #224 opened 2 years ago by abigcoder04
  13

• Test case script

  #214 opened 2 years ago by abigcoder04
  1

• How to execute multiple test cases at the same time

  #213 opened 2 years ago by abigcoder04
  5

• Makefile contents

  #212 opened 2 years ago by abigcoder04
  5

• Installation failure with zmq/ocaml during make

  #180 opened 2 years ago by amandadumi
  16

• qp_create_ezfio multiplicity

  #175 opened 3 years ago by Ydrnan
  0

• qp2-dependencies not at latest commit

  #185 opened 3 years ago by mcbennet
  1

• installation of ocaml: gmp-devel and zeromq-devel needed, even if present in libs and include

  #176 opened 3 years ago by matthiasbe
  4

• Bugfix for n_CSF in the memory efficient version of qp2

  #158 opened 4 years ago by v1j4y
  1

• Unable to compile on Ubuntu 20.10

  #148 opened 4 years ago by mveril
  0

• Spin Contamination Appearance after Truncating Wavefunction

  #126 opened 4 years ago by tbhuber
  12

• PBE energies of GAMESS vs QP2

  #119 opened 4 years ago by aannabe
  5

• IRPF90 using Hartree Fock error

  #102 opened 5 years ago by tbhuber
  0

• No basis with tab tab on qp create blabla ezffio

  #95 opened 5 years ago by eginer
  0

• problem with qp reset -d

  #97 opened 5 years ago by eginer
  0

• Problem with qp set_frozen_core

  #96 opened 5 years ago by eginer
  1

• reverse PR (fix Save_for_qmcpack) did not work?

  #75 opened 5 years ago by anbenali
  2

• qp_edit -n with large wf

  #54 opened 5 years ago by scemama
  0