File tree
1,467 files changed
+154869
-55402
lines changed- .github/workflows
- CMake
- try_compile_sources
- config
- docker/dependencies/ubuntu
- clang-latest
- impish
- openmpi
- docs
- bibs
- doxygen
- examples
- molecules
- H2O
- He
- solids/rmg-inputs/Diamond2-1x1x1-gamma-ccECP
- external_codes
- boost_multi/multi
- adaptors
- blas
- numeric
- test
- cuda
- algorithms
- cublas
- test
- thrust
- test
- cufft
- test
- fftw
- cmake
- mpi
- test
- cmake
- lapack
- serialization
- tblis/test
- cmake
- config
- detail
- cuda
- examples
- memory
- adaptors/cuda
- cached
- managed
- test
- test
- utility
- catch
- quantum_espresso
- nexus
- bin
- examples/qmcpack
- rsqmc_misc/excited
- rsqmc_quantum_espresso/01_diamond_dft_vmc
- lib
- sphinx_docs
- tests
- reference/user_examples/qmcpack/rsqmc_misc
- LiH/runs
- diamond/runs/diamond/vmc
- graphene/runs/graphene
- opt
- qmc
- unit
- src
- AFQMC
- Drivers
- Estimators
- tests
- HamiltonianOperations
- tests
- Hamiltonians/tests
- Matrix/tests
- Memory
- Numerics
- detail/CUDA/Kernels
- performance
- shm_tests
- tests
- Propagators/tests
- SlaterDeterminantOperations
- tests
- Walkers/tests
- Wavefunctions
- tests
- Concurrency
- tests
- Containers
- MinimalContainers/tests
- OhmmsPETE
- tests
- OhmmsSoA
- tests
- Pools
- tests
- tests
- Estimators
- tests
- Message
- tests
- Numerics
- codegen
- tests
- Optimize
- tests
- Particle
- Lattice
- tests
- LongRange
- tests
- ParticleBase
- tests
- ParticleIO
- tests
- tests
- Platforms
- CPU
- SIMD
- CUDA
- CUDA_legacy
- Host
- OMPTarget
- ROCm
- tests
- CPU
- CUDA
- OMPTarget
- QMCApp
- tests
- QMCDrivers
- DMC
- GreenFunctionModifiers
- LMYEngineInterface
- Optimizers
- RMC
- VMC
- WFOpt
- tests
- QMCHamiltonians
- tests
- QMCTools
- QMCFiniteSize
- ppconvert
- src
- common
- test/Oxygen
- tests
- QMCWaveFunctions
- BsplineFactory
- ElectronGas
- Fermion
- HarmonicOscillator
- Jastrow
- codegen
- LCAO
- PlaneWave
- detail
- CUDA
- CUDA_legacy
- tests
- Sandbox
- input
- Utilities
- for_testing
- tests
- for_testing
- einspline
- tests
- formic/utils
- lmyengine
- io
- OhmmsData
- tests
- hdf
- tests
- tests
- OhmmsData
- hdf
- mpi
- spline2
- tests
- type_traits
- tests
- tests
- afqmc/workflow
- converter
- test_Bi_dirac
- test_O_rmg
- test_diamond2_rmg
- estimator
- heg
- heg_14_gamma
- qmc-ref
- heg_54_J2rpa
- io
- models
- molecules
- C2_pp
- C4_ae
- CHN_ae
- Co_L2
- FeCO6_b3lyp_gms
- FeCO6_b3lyp_pyscf
- H2O_dimer_sep_pp
- H2_ae
- H4_ae
- H4_msd_ae
- He_ae
- He_param
- Li2_STO_ae
- LiH_ae_MSD
- LiH_ae_gms
- LiH_ae_pyscf
- LiH_ae_pyscf_UHF
- LiH_ae_qp
- LiH_pp
- O_ae_pyscf_UHF
- performance
- C-graphite
- DFT-inputs
- sample
- dmc-a64-e256-cpu
- dmc-a64-e256-gpu
- C-molecule
- NiO
- pseudopotentials_for_tests
- pw2qmcpack
- pyscf
- rmg
- scripts
- solids
- Al-1x1x1-Gaussian_pp_ShiftedTwist
- LiH_solid_1x1x1_pp
- fake_nspin2
- NiO_a4_e48_pp
- NiO_afqmc
- bccH_1x1x1_ae
- bccH_2x2x2_ae
- qmc-ref
- bccH_3x3x3_ae
- diamondC_1x1x1-Gaussian_pp
- diamondC_1x1x1-Gaussian_pp_MSD
- diamondC_1x1x1-Gaussian_pp_Tw_cplx
- diamondC_1x1x1-Gaussian_pp_Tw_cplx_MSD
- diamondC_1x1x1_pp
- diamondC_2x1x1-Gaussian_pp
- diamondC_2x1x1-Gaussian_pp_MSD
- diamondC_2x1x1-Gaussian_pp_cplx
- diamondC_2x1x1-Gaussian_pp_cplx_MSD
- diamondC_2x1x1-Gaussian_pp_cplx_MSD_excited
- diamondC_2x1x1-Gaussian_pp_kpts
- diamondC_2x1x1_pp
- diamondC_afqmc
- diamondC_afqmc_1x1x1_complex
- grapheneC_1x1_pp
- hcpBe_1x1x1_pp
- monoO_1x1x1_pp
- monoO_noncollinear_1x1x1_pp
- test_automation
- github-actions/ci
- nightly_test_scripts
- utils
- code_tools
Some content is hidden
Large Commits have some content hidden by default. Use the searchbox below for content that may be hidden.
1,467 files changed
+154869
-55402
lines changedOriginal file line number | Diff line number | Diff line change | |
---|---|---|---|
| |||
| 1 | + | |
| 2 | + | |
| 3 | + | |
| 4 | + | |
| 5 | + | |
| 6 | + | |
| 7 | + | |
| 8 | + | |
| 9 | + | |
| 10 | + | |
| 11 | + | |
| 12 | + | |
| 13 | + | |
| 14 | + | |
| 15 | + | |
| 16 | + |
Original file line number | Diff line number | Diff line change | |
---|---|---|---|
| |||
| 1 | + | |
| 2 | + | |
| 3 | + | |
| 4 | + | |
| 5 | + | |
| 6 | + | |
| 7 | + | |
| 8 | + | |
| 9 | + | |
| 10 | + | |
| 11 | + | |
| 12 | + | |
| 13 | + | |
| 14 | + | |
| 15 | + | |
| 16 | + | |
| 17 | + | |
| 18 | + | |
| 19 | + | |
| 20 | + | |
| 21 | + | |
| 22 | + | |
| 23 | + | |
| 24 | + | |
| 25 | + | |
| 26 | + | |
| 27 | + | |
| 28 | + | |
| 29 | + | |
| 30 | + | |
| 31 | + | |
| 32 | + | |
| 33 | + | |
| 34 | + | |
| 35 | + | |
| 36 | + | |
| 37 | + | |
| 38 | + | |
| 39 | + | |
| 40 | + | |
| 41 | + | |
| 42 | + | |
| 43 | + | |
| 44 | + | |
| 45 | + | |
| 46 | + | |
| 47 | + | |
| 48 | + | |
| 49 | + | |
| 50 | + | |
| 51 | + | |
| 52 | + | |
| 53 | + | |
| 54 | + | |
| 55 | + | |
| 56 | + | |
| 57 | + | |
| 58 | + | |
| 59 | + | |
| 60 | + | |
| 61 | + | |
| 62 | + | |
| 63 | + | |
| 64 | + | |
| 65 | + | |
| 66 | + | |
| 67 | + | |
| 68 | + | |
| 69 | + | |
| 70 | + | |
| 71 | + | |
| 72 | + | |
| 73 | + | |
| 74 | + | |
| 75 | + | |
| 76 | + | |
| 77 | + | |
| 78 | + | |
| 79 | + | |
| 80 | + | |
| 81 | + | |
| 82 | + | |
| 83 | + | |
| 84 | + | |
| 85 | + | |
| 86 | + | |
| 87 | + | |
| 88 | + | |
| 89 | + | |
| 90 | + | |
| 91 | + | |
| 92 | + | |
| 93 | + | |
| 94 | + | |
| 95 | + | |
| 96 | + | |
| 97 | + | |
| 98 | + | |
| 99 | + | |
| 100 | + | |
| 101 | + | |
| 102 | + | |
| 103 | + | |
| 104 | + | |
| 105 | + | |
| 106 | + | |
| 107 | + | |
| 108 | + | |
| 109 | + | |
| 110 | + | |
| 111 | + | |
| 112 | + | |
| 113 | + | |
| 114 | + | |
| 115 | + | |
| 116 | + | |
| 117 | + | |
| 118 | + | |
| 119 | + | |
| 120 | + | |
| 121 | + | |
| 122 | + | |
| 123 | + | |
| 124 | + | |
| 125 | + | |
| 126 | + | |
| 127 | + | |
| 128 | + | |
| 129 | + | |
| 130 | + | |
| 131 | + | |
| 132 | + | |
| 133 | + | |
| 134 | + | |
| 135 | + | |
| 136 | + | |
| 137 | + | |
| 138 | + | |
| 139 | + | |
| 140 | + | |
| 141 | + | |
| 142 | + | |
| 143 | + | |
| 144 | + | |
| 145 | + | |
| 146 | + | |
| 147 | + | |
| 148 | + | |
| 149 | + | |
| 150 | + | |
| 151 | + | |
| 152 | + | |
| 153 | + | |
| 154 | + | |
| 155 | + | |
| 156 | + | |
| 157 | + | |
| 158 | + | |
| 159 | + | |
| 160 | + | |
| 161 | + | |
| 162 | + | |
| 163 | + | |
| 164 | + | |
| 165 | + | |
| 166 | + | |
| 167 | + | |
| 168 | + | |
| 169 | + | |
| 170 | + | |
| 171 | + | |
| 172 | + | |
| 173 | + | |
| 174 | + | |
| 175 | + | |
| 176 | + | |
| 177 | + | |
| 178 | + | |
| 179 | + | |
| 180 | + | |
| 181 | + | |
| 182 | + | |
| 183 | + | |
| 184 | + | |
| 185 | + | |
| 186 | + | |
| 187 | + | |
| 188 | + | |
| 189 | + | |
| 190 | + | |
| 191 | + | |
| 192 | + | |
| 193 | + | |
| 194 | + | |
| 195 | + | |
| 196 | + | |
| 197 | + | |
| 198 | + | |
| 199 | + | |
| 200 | + | |
| 201 | + | |
| 202 | + | |
| 203 | + |
0 commit comments