Skip to content

Commit ec48667

Browse files
MatthewRHermesMatthewRHermes
committed
Remove files being moved to PySCF core (#144)
1 parent c4ba677 commit ec48667

Some content is hidden

Large Commits have some content hidden by default. Use the searchbox below for content that may be hidden.

57 files changed

+0
-14797
lines changed

‎examples/mcpdft/00-simple_mcpdft.py‎

Lines changed: 0 additions & 41 deletions
This file was deleted.

‎examples/mcpdft/01-different_functionals.py‎

Lines changed: 0 additions & 49 deletions
This file was deleted.

‎examples/mcpdft/02-hybrid_functionals.py‎

Lines changed: 0 additions & 49 deletions
This file was deleted.

‎examples/mcpdft/03-metaGGA_functionals.py‎

Lines changed: 0 additions & 9 deletions
Original file line numberDiff line numberDiff line change
@@ -8,15 +8,6 @@
88

99
mf = scf.RHF (mol).run ()
1010

11-
# The translation of Meta-GGAs and hybrid-Meta-GGAs [PNAS, 122, 1, 2025, e2419413121; https://doi.org/10.1073/pnas.2419413121]
12-
13-
# Translated-Meta-GGA
14-
mc = mcpdft.CASCI(mf, 'tM06L', 6, 8).run ()
15-
16-
# Hybrid-Translated-Meta-GGA
17-
tM06L0 = 't' + mcpdft.hyb('M06L',0.25, hyb_type='average')
18-
mc = mcpdft.CASCI(mf, tM06L0, 6, 8).run ()
19-
2011
# MC23: meta-hybrid on-top functional [PNAS, 122, 1, 2025, e2419413121; https://doi.org/10.1073/pnas.2419413121]
2112

2213
# State-Specific

‎examples/mcpdft/11-grid_scheme.py‎

Lines changed: 0 additions & 40 deletions
This file was deleted.

‎examples/mcpdft/15-state_average.py‎

Lines changed: 0 additions & 30 deletions
This file was deleted.

‎examples/mcpdft/16-multi_state.py‎

Lines changed: 0 additions & 43 deletions
This file was deleted.

‎examples/mcpdft/41-state_average.py‎

Lines changed: 0 additions & 80 deletions
This file was deleted.

‎examples/mcpdft/42-linearized-pdft.py‎

Lines changed: 0 additions & 38 deletions
This file was deleted.

0 commit comments

Comments
 (0)