Added file to specify HF data (quantumlib#158)

snow0369 · Jan 11, 2018 · 3b48b94 · 3b48b94
1 parent c92ca40
commit 3b48b94
Showing 1 changed file with 20 additions and 0 deletions.
diff --git a/cloud_library/HF_diatomic_sto-3g b/cloud_library/HF_diatomic_sto-3g
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+# Hydrogen Fluoride (HF) diatomic calculations at different
+# bond distances are contrained in this file.
+# Calculations in these files contain FCI, MP2,
+# HF, CISD, CCSD and all integerals.
+H1-F1_sto-3g_singlet_2.6.hdf5
+H1-F1_sto-3g_singlet_2.0.hdf5
+H1-F1_sto-3g_singlet_0.2.hdf5
+H1-F1_sto-3g_singlet_1.0.hdf5
+H1-F1_sto-3g_singlet_1.4.hdf5
+H1-F1_sto-3g_singlet_2.2.hdf5
+H1-F1_sto-3g_singlet_1.8.hdf5
+H1-F1_sto-3g_singlet_0.7414.hdf5
+H1-F1_sto-3g_singlet_0.6.hdf5
+H1-F1_sto-3g_singlet_1.6.hdf5
+H1-F1_sto-3g_singlet_0.4.hdf5
+H1-F1_sto-3g_singlet_3.0.hdf5
+H1-F1_sto-3g_singlet_1.2.hdf5
+H1-F1_sto-3g_singlet_2.8.hdf5
+H1-F1_sto-3g_singlet_0.8.hdf5
+H1-F1_sto-3g_singlet_2.4.hdf5