Commits

Branch selector

 main

User selector

All users

All time

Commit History

Commits on Mar 4, 2026

• fix num_kpoints

  brucefan1983

  committed
  629ec5d

  Copy full SHA for 629ec5d

• fix a bug on k points

  brucefan1983

  committed
  8c041b6

  Copy full SHA for 8c041b6

Commits on Jan 24, 2026

• Merge pull request #66 from brucefan1983/prepare_release

  Show description for 43b2ee6
  brucefan1983

  authored
  43b2ee6

  Copy full SHA for 43b2ee6

• qNEP is not supported for LAMMPS interface

  brucefan1983

  committed
  8ef52df

  Copy full SHA for 8ef52df

• std::abs

  brucefan1983

  committed
  c67ea40

  Copy full SHA for c67ea40

• no table

  brucefan1983

  committed
  59efbe8

  Copy full SHA for 59efbe8

Commits on Dec 30, 2025

• Merge pull request #65 from brucefan1983/ewald_nep

  Show description for 6effeda
  brucefan1983

  authored
  6effeda

  Copy full SHA for 6effeda

• rename ewald

  brucefan1983

  committed
  df982b4

  Copy full SHA for df982b4

• Merge pull request #64 from BBBuZHIDAO/fix_bug_nep

  Show description for f6deb03
  brucefan1983

  authored
  f6deb03

  Copy full SHA for f6deb03

Commits on Dec 22, 2025

• use different name for neighbor files to avoid naming collision in LAMMPS

  BBBuZHIDAO

  committed
  56d3d2c

  Copy full SHA for 56d3d2c

Commits on Dec 21, 2025

• Revise NEP class file references and instructions

  Show description for 5503d85
  brucefan1983

  authored
  5503d85

  Copy full SHA for 5503d85

Commits on Dec 20, 2025

• Merge pull request #62 from brucefan1983/refactor

  Show description for b8ae345
  brucefan1983

  authored
  b8ae345

  Copy full SHA for b8ae345

• Renamed K_C_SP in ewald.cpp

  erhart1

  committed
  307e444

  Copy full SHA for 307e444

• Merge branch 'refactor' of github.com:brucefan1983/NEP_CPU into refactor

  erhart1

  committed
  b834707

  Copy full SHA for b834707

• Fixed unsigned type warnings

  erhart1

  committed
  edab18a

  Copy full SHA for edab18a

• correct readme

  brucefan1983

  committed
  ce71f47

  Copy full SHA for ce71f47

• update reademe info

  brucefan1983

  committed
  ae78af3

  Copy full SHA for ae78af3

• NEP3 to NEP

  brucefan1983

  committed
  036bd1f

  Copy full SHA for 036bd1f

• change comment

  brucefan1983

  committed
  0d751c0

  Copy full SHA for 0d751c0

• add tests for qnep

  brucefan1983

  committed
  8c4f60f

  Copy full SHA for 8c4f60f

• remove old qnep

  brucefan1983

  committed
  c83f007

  Copy full SHA for c83f007

• check if nep or qnep model

  brucefan1983

  committed
  74130ac

  Copy full SHA for 74130ac

• almost finished

  brucefan1983

  committed
  6ad7469

  Copy full SHA for 6ad7469

• more code for qnep

  brucefan1983

  committed
  a0b86be

  Copy full SHA for a0b86be

• start to add qnep code

  brucefan1983

  committed
  10ed702

  Copy full SHA for 10ed702

• separate neighbor code

  brucefan1983

  committed
  54524a8

  Copy full SHA for 54524a8

• separate nep_utilities.h

  brucefan1983

  committed
  c9a8067

  Copy full SHA for c9a8067

• start to add qnep into nep

  brucefan1983

  committed
  789f0a4

  Copy full SHA for 789f0a4

• rename folders

  brucefan1983

  committed
  227c90a

  Copy full SHA for 227c90a

Commits on Dec 19, 2025

• Merge pull request #59 from brucefan1983/qnep

  Show description for 7d7c8bd
  brucefan1983

  authored
  7d7c8bd

  Copy full SHA for 7d7c8bd

Commits on Dec 17, 2025

• Merge pull request #61 from brucefan1983/fix_rc_radial

  Show description for 3fc9b37
  brucefan1983

  authored
  3fc9b37

  Copy full SHA for 3fc9b37

• need to use rc_radial_max now

  brucefan1983

  committed
  831294d

  Copy full SHA for 831294d

Commits on Dec 12, 2025

• rc_inner=0

  brucefan1983

  committed
  5bb40db

  Copy full SHA for 5bb40db

• Merge pull request #60 from brucefan1983/new_typewise_cutoff

  Show description for e762790
  brucefan1983

  authored
  e762790

  Copy full SHA for e762790

• better screen output

  brucefan1983

  committed
  2b26fca

  Copy full SHA for 2b26fca