Repository navigation

feat(xc): add libvdwxc-backed rVV10 nonlocal XC - #8140

Draft

CleverPhysician wants to merge 31 commits into

deepmodeling:developfrom

CleverPhysician:rvv10-latest-clean

Draft

feat(xc): add libvdwxc-backed rVV10 nonlocal XC#8140
CleverPhysician wants to merge 31 commits into
deepmodeling:developfrom
CleverPhysician:rvv10-latest-clean

Commits on Oct 13, 2026
- feat(xc): add libvdwxc-backed rVV10 adapter
  
  1
  authored and
  1
  committed
  a110fc5
- fix(build-info): report libvdwxc in Makefile builds
  
  1
  authored and
  1
  committed
  a8ab61b
- fix(xc): avoid libvdwxc header macro collision
  
  1
  authored and
  1
  committed
  52d9da6
- test(xc): cover nonlocal potential derivative
  
  1
  authored and
  1
  committed
  48bc03f
- docs(xc): state external validation gate clearly
  
  1
  authored and
  1
  committed
  e609791
- build(tests): register adapter after its dependencies
  
  1
  authored and
  1
  committed
  3b58915
- build(tests): register after device target
  
  1
  authored and
  1
  committed
  4ad8c37
- docs(xc): make serial libvdwxc test command reproducible
  
  1
  authored and
  1
  committed
  e476398
- docs(xc): add rVV10 citation guidance
  
  1
  authored and
  1
  committed
  67e6c66
- refactor(xc): make adapter validation explicit
  
  1
  authored and
  1
  committed
  f3d41ad
Commits on Oct 14, 2026
- fix(xc): reject unsupported rVV10 density grids and spin
  
  1
  authored and
  1
  committed
  32e12de
- fix(xc): preserve cell orientation in libvdwxc adapter
  
  1
  authored and
  1
  committed
  e65e07c
- Merge latest develop and keep generated INPUT docs untracked
  
  1
  authored and
  1
  committed
  3286e20
- refactor(xc): simplify libvdwxc adapter after review
  
  1
  authored and
  1
  committed
  c23f000
- fix(xc): prohibit copying owned libvdwxc handles
  
  1
  authored and
  1
  committed
  9da9d84
- test(xc): verify additive nonlocal host bookkeeping
  
  1
  authored and
  1
  committed
  c3dedfb
- docs(xc): pin validated libvdwxc FFT-boundary fix
  
  1
  authored and
  1
  committed
  95528a1
Commits on Oct 15, 2026
- Merge develop and preserve rVV10 input parameters
  
  1
  authored and
  1
  committed
  be61717
Commits on Oct 17, 2026
- fix(io): report the first unsupported rVV10 input setting
  
  authored and
  1
  committed
  1b09868
- refactor(xc): keep the libvdwxc C header out of the adapter interface
  
  authored and
  1
  committed
  00ae9bb
- docs(xc): trim the rVV10 test notes and drop the duplicate CI step
  
  authored and
  1
  committed
  a6c3ed4
Commits on Oct 25, 2026
- Merge develop 8e20175 into rvv10-latest-clean
  
  1
  authored and
  1
  committed
  916a35e
Commits on Oct 26, 2026
- refactor(xc): select the nonlocal XC component from Input_para and fix the rVV10 parameters
  
  authored and
  1
  committed
  9828e9b
- test(xc): drop the Python build-report test and register the adapter test from module_vdw
  
  authored and
  1
  committed
  76e9c1c
- style(xc): name tolerances, reuse constants.h and format the new files
  
  authored and
  1
  committed
  815deae
- refactor(xc): shorten the adapter file names and split its evaluation
  
  authored and
  1
  committed
  0df2a42
- style(xc): format the new hunks with the pre-commit clang-format and cmake-format
  
  authored and
  1
  committed
  a682b56
Commits on Oct 27, 2026
- refactor(xc): select rVV10 through dft_functional and add it in XC_Functional::v_xc
  
  authored and
  1
  committed
  256d216
- refactor(xc): select rVV10 as vdw_method rvv10 and use libvdwxc's distributed interface
  
  authored and
  1
  committed
  a1b108a
- refactor(xc): keep the rVV10 hooks in their owning modules
  
  authored and
  1
  committed
  7e9425c
- build(xc): stop for MKL or KML with an MPI libvdwxc
  
  authored and
  1
  committed
  b378fb2

Commits

Commits on Oct 13, 2026

Commits on Oct 14, 2026

Commits on Oct 15, 2026

Commits on Oct 17, 2026

Commits on Oct 25, 2026

Commits on Oct 26, 2026

Commits on Oct 27, 2026