Merge pull request #60 from BoothGroup/disable_CCSDt

Remove CCSDt
BoothGroup · Jul 27, 2024 · 9ee52d5 · 9ee52d5
2 parents ff623d0 + 4bfaaf6
commit 9ee52d5
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Showing 8 changed files with 1 addition and 15,550 deletions.
diff --git a/ebcc/ansatz.py b/ebcc/ansatz.py
@@ -17,7 +17,6 @@
     "QCISD": ("QCISD", "", 0, 0),
     "DCD": ("DCD", "", 0, 0),
     "DCSD": ("DCSD", "", 0, 0),
-    "CCSDt": ("CCSDt", "", 0, 0),
     "CCSDt'": ("CCSDt'", "", 0, 0),
     "CCSD-S-1-1": ("CCSD", "S", 1, 1),
     "CCSD-SD-1-1": ("CCSD", "SD", 1, 1),

diff --git a/ebcc/codegen/GCCSDt.py b/ebcc/codegen/GCCSDt.py
diff --git a/ebcc/codegen/RCCSDt.py b/ebcc/codegen/RCCSDt.py
diff --git a/ebcc/codegen/UCCSDt.py b/ebcc/codegen/UCCSDt.py
diff --git a/examples/04-ccsdt_active_space.py b/examples/04-ccsdt_active_space.py
@@ -1,6 +1,5 @@
 """
-Example of a CCSDt' and CCSDt calculations with T3 amplitudes in an
-active space.
+Example of a CCSDt' calculations with T3 amplitudes in an active space.
 """
 
 import numpy as np
@@ -33,7 +32,3 @@
 # Run a CCSDt' calculation
 ccsdt = REBCC(mf, ansatz="CCSDt'", space=space)
 ccsdt.kernel()
-
-# Run a CCSDt calculation
-ccsdt = REBCC(mf, ansatz="CCSDt", space=space)
-ccsdt.kernel()
diff --git a/tests/test_GCCSDt.py b/tests/test_GCCSDt.py
diff --git a/tests/test_RCCSDt.py b/tests/test_RCCSDt.py