Commits · v0.9 · Abhishek Bagusetty / inq · GitLab

Jan 13, 2023
- Merge branch 'parse_poscar' into 'master' · f2fbd7ab
  Xavier Andrade authored Jan 13, 2023
  View commits for tag v0.9 v0.9
  
  f2fbd7ab
Jan 12, 2023
- Renamed geo() to atoms(). · 6b55b53f
  Xavier Andrade authored Jan 12, 2023
  
  6b55b53f
- Simplify the generation of the box from a poscar. · baecc531
  Xavier Andrade authored Jan 12, 2023
  
  baecc531
- Added a test that reads a POSCAR file. · a7c48a30
  Xavier Andrade authored Jan 12, 2023
  
  a7c48a30
- * Implemented the reading of Cartesian POSCAR files. · a865e1d2
  Xavier Andrade authored Jan 12, 2023
  a865e1d2
- Prototype parsing of VASP poscar files. · be57b353
  Xavier Andrade authored Jan 12, 2023
  
  be57b353
- Add a VASP poscar file example. · 3a690ac6
  Xavier Andrade authored Jan 12, 2023
  
  3a690ac6
- Merge branch 'cmake_inq_as_library' into 'master' · da61421b
  Alfredo Correa authored Jan 12, 2023
  da61421b
- Merge branch 'fix_xc_test_zero_comparisons' into 'master' · 88bf99ca
  Xavier Andrade authored Jan 12, 2023
  88bf99ca
- Merge remote-tracking branch 'origin/fix_xc_test_zero_comparisons' into cmake_inq_as_library · 0ea069c9
  Alfredo Correa authored Jan 12, 2023
  
  0ea069c9
- Bugfix: The XC functional test could spuriously fail when comparing zero values. · abe27006
  Xavier Andrade authored Jan 12, 2023
  
  abe27006
- Merge remote-tracking branch 'origin/update_multi' into cmake_inq_as_library · d9abbcc7
  Alfredo Correa authored Jan 11, 2023
  
  d9abbcc7
- update multi to version that the FetchContent friendly · eeec5f5f
  Alfredo Correa authored Jan 11, 2023
  
  eeec5f5f
- make inq a cmake library · 0a962bcc
  Alfredo Correa authored Jan 11, 2023
  
  0a962bcc
Jan 11, 2023
- Merge branch 'velocity_gauge_laser' into 'master' · c7c80149
  Xavier Andrade authored Jan 11, 2023
  c7c80149
- Merge branch 'complex_potential' into 'master' · 14267c9b
  Xavier Andrade authored Jan 11, 2023
  14267c9b
- Fix indentation. · 520c9fb0
  Xavier Andrade authored Jan 11, 2023
  
  520c9fb0
- remove unused variable · 1061bd44
  Yifan Yao authored Jan 10, 2023
  
  1061bd44
- remove unused variable · ac28aabb
  Yifan Yao authored Jan 10, 2023
  
  ac28aabb
- add unit test for laser and fix the computation problem · ee23cc76
  Yifan Yao authored Jan 10, 2023
  
  ee23cc76
- output the vector potential · bcc17806
  Yifan Yao authored Jan 10, 2023
  
  bcc17806
- laser field can be applied in velocity gauge · 659f1b98
  Yifan Yao authored Jan 10, 2023
  
  659f1b98
- Use a complex potential in the time propagation. · df2466a3
  Xavier Andrade authored Jan 11, 2023
  
  df2466a3
- Make update_hamiltonian work with complex potential. · c390c091
  Xavier Andrade authored Jan 11, 2023
  
  c390c091
- Allow increment to work with different field types. · 102b0926
  Xavier Andrade authored Jan 11, 2023
  
  102b0926
- Make the hamiltonian a template on the potential type (complex or · e056817d
  Xavier Andrade authored Jan 11, 2023
  e056817d
- Make the scalar potential application routine work with a templated · aa685051
  Xavier Andrade authored Jan 10, 2023
  aa685051
Jan 10, 2023
- Merge branch 'update_mpi3' into 'master' · 3b6fc713
  Alfredo Correa authored Jan 10, 2023
  3b6fc713
- Merge branch 'sum_perturbations' into 'master' · d94ebad7
  Xavier Andrade authored Jan 10, 2023
  d94ebad7
- In a test, split the kick in two, to verify the sum of perturbations. · 13b0f382
  Xavier Andrade authored Jan 09, 2023
  
  13b0f382
- Test a triple sum of perturbations. · 400a2451
  Xavier Andrade authored Jan 09, 2023
  
  400a2451
- Overload operator + for perturbations. · 78ef816b
  Xavier Andrade authored Jan 09, 2023
  
  78ef816b
- Define a class that applies the sum of two perturbations. · 1152a0f6
  Xavier Andrade authored Jan 09, 2023
  
  1152a0f6
Jan 09, 2023
- allow deprecated · 074c5fd5
  Alfredo Correa authored Jan 09, 2023
  
  074c5fd5
Jan 07, 2023
- add mpi3 location to cmake · 6fec0512
  Alfredo Correa authored Jan 07, 2023
  
  6fec0512
- update mpi3 · 6dd13332
  Alfredo Correa authored Jan 07, 2023
  
  6dd13332
- Merge branch 'xc_spin' into 'master' · 468ead93
  Xavier Andrade authored Jan 07, 2023
  468ead93
Jan 06, 2023
- Fixed the size of an array that was causing an out of bounds access. · 7385f86f
  Xavier Andrade authored Jan 06, 2023
  
  7385f86f
- Fix cuda compilation. · e5fbe005
  Xavier Andrade authored Jan 06, 2023
  
  e5fbe005
- Implementation and test of spin polarized GGA functionals. · da73d43f
  Xavier Andrade authored Jan 06, 2023
  
  da73d43f