Merge pull request #544 from akohlmey/tip4p-triclinic
Correct handling of triclinic box support in pppm/tip4p and pppm/tip4p/omp
Description
Description
Details
Details
- Committed
GitHub <noreply@github.com> Jul 3 2017, 20:24 - Pushed
junge Oct 19 2017, 09:53 - Parents
- rLAMMPS73b948dcfc97: pppm must be fully reinitialized after switching to triclinic box to avoid…
rLAMMPS883b7aaa0efc: Merge pull request #557 from lammps/create-bonds - Branches
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Merged Changes
Merged Changes
| Commit | Author | Details | Committed | |||
|---|---|---|---|---|---|---|
| 73b948dcfc97 | Axel Kohlmeyer | pppm must be fully reinitialized after switching to triclinic box to avoid… | Jun 23 2017 | |||
| f8364342c238 | Axel Kohlmeyer | port corrected triclinic handling from pppm/tip4p to pppm/tip4p/omp | Jun 23 2017 | |||
| 488d1b7a79fc | Axel Kohlmeyer | correct find_M() function in pppm/tip4p to properly account for ghost atoms not… | Jun 22 2017 | |||
| b9029ada7785 | Axel Kohlmeyer | fix bug in incorrect use of O coordinate instead of M coordinate in pppm/tip4p | Jun 22 2017 |