remake tests

abelcarreras · Jul 12, 2023 · 4dec145 · 4dec145
1 parent b985139
commit 4dec145
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Showing 13 changed files with 918 additions and 918 deletions.
diff --git a/tests/Eth00_ras22.yaml b/tests/Eth00_ras22.yaml
diff --git a/tests/Eth00_ras44.yaml b/tests/Eth00_ras44.yaml
diff --git a/tests/Eth00_ras66.yaml b/tests/Eth00_ras66.yaml
diff --git a/tests/Eth90_ras22.yaml b/tests/Eth90_ras22.yaml
diff --git a/tests/Eth90_ras44.yaml b/tests/Eth90_ras44.yaml
diff --git a/tests/Eth90_ras66.yaml b/tests/Eth90_ras66.yaml
diff --git a/tests/EthDist_ras22.yaml b/tests/EthDist_ras22.yaml
diff --git a/tests/EthDist_ras44.yaml b/tests/EthDist_ras44.yaml
diff --git a/tests/EthDist_ras66.yaml b/tests/EthDist_ras66.yaml
diff --git a/tests/HydrogenTest_srdft.yaml b/tests/HydrogenTest_srdft.yaml
@@ -56,7 +56,7 @@ excited_states:
       - 0
       - 0
     part: ''
-  contributions_fwn:
+  contributions_wfn:
     active: !!python/object/new:pyqchem.parsers.common.float_asterisk
     - 99.48
     hole: !!python/object/new:pyqchem.parsers.common.float_asterisk
@@ -147,7 +147,7 @@ excited_states:
       - 0
       - 0
     part: ''
-  contributions_fwn:
+  contributions_wfn:
     active: !!python/object/new:pyqchem.parsers.common.float_asterisk
     - 98.4
     hole: !!python/object/new:pyqchem.parsers.common.float_asterisk

diff --git a/tests/WaterTest_rasci.yaml b/tests/WaterTest_rasci.yaml
@@ -792,7 +792,7 @@ excited_states:
       - 1
       - 1
     part: ''
-  contributions_fwn:
+  contributions_wfn:
     active: !!python/object/new:pyqchem.parsers.common.float_asterisk
     - 98.82
     hole: !!python/object/new:pyqchem.parsers.common.float_asterisk
@@ -1667,7 +1667,7 @@ excited_states:
       - 1
       - 1
     part: ''
-  contributions_fwn:
+  contributions_wfn:
     active: !!python/object/new:pyqchem.parsers.common.float_asterisk
     - 95.55
     hole: !!python/object/new:pyqchem.parsers.common.float_asterisk
@@ -2502,7 +2502,7 @@ excited_states:
       - 1
       - 1
     part: ''
-  contributions_fwn:
+  contributions_wfn:
     active: !!python/object/new:pyqchem.parsers.common.float_asterisk
     - 96.16
     hole: !!python/object/new:pyqchem.parsers.common.float_asterisk
@@ -3381,7 +3381,7 @@ excited_states:
       - 1
       - 1
     part: ''
-  contributions_fwn:
+  contributions_wfn:
     active: !!python/object/new:pyqchem.parsers.common.float_asterisk
     - 90.68
     hole: !!python/object/new:pyqchem.parsers.common.float_asterisk
@@ -4260,7 +4260,7 @@ excited_states:
       - 1
       - 0
     part: ''
-  contributions_fwn:
+  contributions_wfn:
     active: !!python/object/new:pyqchem.parsers.common.float_asterisk
     - 80.83
     hole: !!python/object/new:pyqchem.parsers.common.float_asterisk
@@ -5139,7 +5139,7 @@ excited_states:
       - 0
       - 1
     part: ''
-  contributions_fwn:
+  contributions_wfn:
     active: !!python/object/new:pyqchem.parsers.common.float_asterisk
     - 17.92
     hole: !!python/object/new:pyqchem.parsers.common.float_asterisk

diff --git a/tests/WaterTest_srdft.yaml b/tests/WaterTest_srdft.yaml
@@ -58,7 +58,7 @@ excited_states:
       - 0
       - 0
     part: ''
-  contributions_fwn:
+  contributions_wfn:
     active: !!python/object/new:pyqchem.parsers.common.float_asterisk
     - 98.89
     hole: !!python/object/new:pyqchem.parsers.common.float_asterisk
@@ -213,7 +213,7 @@ excited_states:
       - 0
       - 0
     part: ''
-  contributions_fwn:
+  contributions_wfn:
     active: !!python/object/new:pyqchem.parsers.common.float_asterisk
     - 97.17
     hole: !!python/object/new:pyqchem.parsers.common.float_asterisk
@@ -372,7 +372,7 @@ excited_states:
       - 0
       - 0
     part: ''
-  contributions_fwn:
+  contributions_wfn:
     active: !!python/object/new:pyqchem.parsers.common.float_asterisk
     - 97.15
     hole: !!python/object/new:pyqchem.parsers.common.float_asterisk
@@ -531,7 +531,7 @@ excited_states:
       - 0
       - 0
     part: ''
-  contributions_fwn:
+  contributions_wfn:
     active: !!python/object/new:pyqchem.parsers.common.float_asterisk
     - 96.11
     hole: !!python/object/new:pyqchem.parsers.common.float_asterisk
@@ -690,7 +690,7 @@ excited_states:
       - 0
       - 0
     part: ''
-  contributions_fwn:
+  contributions_wfn:
     active: !!python/object/new:pyqchem.parsers.common.float_asterisk
     - 97.2
     hole: !!python/object/new:pyqchem.parsers.common.float_asterisk
@@ -849,7 +849,7 @@ excited_states:
       - 0
       - 0
     part: ''
-  contributions_fwn:
+  contributions_wfn:
     active: !!python/object/new:pyqchem.parsers.common.float_asterisk
     - 97.25
     hole: !!python/object/new:pyqchem.parsers.common.float_asterisk

diff --git a/tests/test_data.db b/tests/test_data.db