Skip to content
GitLab
Projects Groups Topics Snippets
  • /
  • Help
    • Help
    • Support
    • Community forum
    • Submit feedback
  • Register
  • Sign in
  • S sdv-lammps
  • Project information
    • Project information
    • Activity
    • Labels
    • Members
  • Repository
    • Repository
    • Files
    • Commits
    • Branches
    • Tags
    • Contributor statistics
    • Graph
    • Compare revisions
  • Issues 100
    • Issues 100
    • List
    • Boards
    • Service Desk
    • Milestones
  • Merge requests 0
    • Merge requests 0
  • CI/CD
    • CI/CD
    • Pipelines
    • Jobs
    • Schedules
  • Deployments
    • Deployments
    • Environments
    • Releases
  • Packages and registries
    • Packages and registries
    • Package Registry
    • Container Registry
    • Terraform modules
  • Monitor
    • Monitor
    • Metrics
    • Incidents
  • Analytics
    • Analytics
    • Value stream
    • CI/CD
    • Repository
  • Wiki
    • Wiki
  • Snippets
    • Snippets
  • Activity
  • Graph
  • Create a new issue
  • Jobs
  • Commits
  • Issue Boards
Collapse sidebar
  • djurado
  • sdv-lammps
  • Wiki
  • Home

Home · Changes

Page history
Update Home authored Dec 19, 2022 by djurado's avatar djurado
Hide whitespace changes
Inline Side-by-side
Home.md
View page @ 551b4071
...@@ -22,7 +22,7 @@ If atoms aren't within the cutoff distance, these become *long-range* interactio ...@@ -22,7 +22,7 @@ If atoms aren't within the cutoff distance, these become *long-range* interactio
The `PairLJCharmmCoulLong::compute` computes short-range interactions. The `PairLJCharmmCoulLong::compute` computes short-range interactions.
LAMMPS uses 64-bit `double` precision numbers for floating point calculations and 32-bit `int` numbers for integer computations. LAMMPS uses 64-bit `double` precision numbers for floating point calculations and 32-bit `int` numbers for integer computations.
This can become somewhat of an issue when using the This can become somewhat of an issue with the `jlist` array, which is an array of `int`s which act as indexes of `x` and
- **Specialization**: calls to subroutines inside compute only happen on the first and last iteration - **Specialization**: calls to subroutines inside compute only happen on the first and last iteration
- Data structures: in which classes is the information about atoms (position, force) stored, how? array of pointer to array - Data structures: in which classes is the information about atoms (position, force) stored, how? array of pointer to array
......
Clone repository
  • 32 bit and 64 bit data types
  • 32 bit to 64 bit
  • Home
  • Implementation
  • Loop size
  • Managing code paths
  • Overview of Algorithm and Data structures
  • Specialization
  • _sidebar
  • union_int_float_t