Commit a4de076
abacus_fixer
Print EXX stress in LCAO PARTS OF STRESS breakdown
The test_stress parts printout in Force_Stress_LCAO::getForceStress
omitted the EXX term, unlike the PW side (Stress_PW::cal_stress).
Add the EXX stress entry so hybrid runs can directly inspect this
contribution, which is a major component in LCAO HSE calculations.1 parent bdf8241 commit a4de076
1 file changed
Lines changed: 6 additions & 0 deletions
| Original file line number | Diff line number | Diff line change | |
|---|---|---|---|
| |||
877 | 877 | | |
878 | 878 | | |
879 | 879 | | |
| 880 | + | |
| 881 | + | |
| 882 | + | |
| 883 | + | |
| 884 | + | |
| 885 | + | |
880 | 886 | | |
881 | 887 | | |
882 | 888 | | |
| |||
0 commit comments