Christophe / test_psi4_conda_runtime
Public/
| Name | Modified |
|---|---|
| __marimo__ | Sep 24, 2026, 1:25 AM |
| __pycache__ | Sep 24, 2026, 1:25 AM |
| .pixi | Sep 4, 2026, 2:02 PM |
| .gitattributes | Sep 3, 2026, 10:28 AM |
| .gitignore | Sep 3, 2026, 10:28 AM |
| pixi.lock | Sep 3, 2026, 3:35 PM |
| pixi.toml | Sep 3, 2026, 3:35 PM |
| psi.101.clean | Sep 4, 2026, 3:05 PM |
| psi.102.clean | Sep 4, 2026, 8:23 AM |
| psi.115.clean | Sep 4, 2026, 8:29 AM |
| psi.128.clean | Sep 4, 2026, 8:30 AM |
| psi.142.clean | Sep 4, 2026, 8:31 AM |
| psi.155.clean | Sep 4, 2026, 8:29 AM |
| psi.168.clean | Sep 4, 2026, 8:35 AM |
| psi.184.clean | Sep 4, 2026, 8:35 AM |
| psi.197.clean | Sep 4, 2026, 8:36 AM |
| psi.227.clean | Sep 4, 2026, 8:42 AM |
| psi.243.clean | Sep 4, 2026, 8:52 AM |
| psi.256.clean | Sep 4, 2026, 8:56 AM |
| psi.269.clean | Sep 4, 2026, 9:42 AM |
| psi.285.clean | Sep 4, 2026, 9:43 AM |
| psi.298.clean | Sep 4, 2026, 9:45 AM |
| psi.311.clean | Sep 4, 2026, 9:48 AM |
| psi.324.clean | Sep 4, 2026, 11:39 AM |
| psi.325.clean | Sep 4, 2026, 8:41 AM |
| psi.340.clean | Sep 4, 2026, 1:36 PM |
| psi.356.clean | Sep 4, 2026, 1:42 PM |
| psi.36.clean | Sep 4, 2026, 2:50 PM |
| psi.369.clean | Sep 4, 2026, 2:11 PM |
| psi.37.clean | Sep 8, 2026, 9:37 AM |
| psi.70.clean | Sep 4, 2026, 2:46 PM |
| psi.86.clean | Sep 4, 2026, 8:22 AM |
| psi.88.clean | Sep 4, 2026, 2:46 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.009999999999999676.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.019999999999999685.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.029999999999999694.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.0399999999999997.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.04999999999999971.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.05.dat | Sep 3, 2026, 3:32 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.05999999999999972.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.06999999999999973.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.07999999999999974.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.08999999999999975.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.09999999999999976.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.1.dat | Sep 3, 2026, 3:32 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.10000000000000009.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.10999999999999976.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.11999999999999977.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.12999999999999978.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.1399999999999998.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.1499999999999998.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.15.dat | Sep 3, 2026, 3:32 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.1599999999999998.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.16999999999999982.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.17999999999999983.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.18999999999999984.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.19999999999999984.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.2.dat | Sep 3, 2026, 3:32 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.20000000000000007.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.20999999999999985.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.21999999999999986.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.22999999999999987.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.23999999999999988.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.2499999999999999.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.25.dat | Sep 3, 2026, 3:32 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.2599999999999999.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.2699999999999999.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.2799999999999999.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.2899999999999999.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.29999999999999993.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.3.dat | Sep 3, 2026, 3:32 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.30000000000000004.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.30999999999999994.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.31999999999999995.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.32999999999999996.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.33999999999999997.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.35.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.36.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.37.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.38.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.39.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_-0.4.dat | Sep 4, 2026, 8:41 AM |
| psi4_energies_H4_c1_symmetry_z1_shift_-1.1102230246251565e-16.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.0.dat | Sep 3, 2026, 3:32 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.010000000000000342.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.02000000000000035.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.03000000000000036.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.04000000000000037.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.05.dat | Sep 3, 2026, 3:32 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.05000000000000038.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.060000000000000386.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.0700000000000004.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.0800000000000004.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.09000000000000041.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.09999999999999987.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.1.dat | Sep 3, 2026, 3:32 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.10000000000000042.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.11000000000000043.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.12000000000000044.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.13000000000000045.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.14000000000000046.dat | Sep 3, 2026, 3:37 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.15.dat | Sep 3, 2026, 3:32 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.15000000000000047.dat | Sep 3, 2026, 3:37 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.16000000000000048.dat | Sep 3, 2026, 3:37 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.17000000000000048.dat | Sep 3, 2026, 3:37 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.1800000000000005.dat | Sep 3, 2026, 3:37 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.1900000000000005.dat | Sep 3, 2026, 3:37 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.19999999999999984.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.2.dat | Sep 3, 2026, 3:32 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.2000000000000005.dat | Sep 3, 2026, 3:37 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.21000000000000052.dat | Sep 3, 2026, 3:37 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.22000000000000053.dat | Sep 3, 2026, 3:37 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.23000000000000054.dat | Sep 3, 2026, 3:37 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.24000000000000055.dat | Sep 3, 2026, 3:37 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.25.dat | Sep 3, 2026, 3:32 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.25000000000000056.dat | Sep 3, 2026, 3:37 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.26000000000000056.dat | Sep 3, 2026, 3:37 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.2700000000000006.dat | Sep 3, 2026, 3:37 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.2800000000000006.dat | Sep 3, 2026, 3:37 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.2900000000000006.dat | Sep 3, 2026, 3:37 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.2999999999999998.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.3.dat | Sep 3, 2026, 3:32 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.3000000000000006.dat | Sep 3, 2026, 3:37 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.3100000000000006.dat | Sep 3, 2026, 3:37 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.3200000000000006.dat | Sep 3, 2026, 3:37 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.3300000000000006.dat | Sep 3, 2026, 3:37 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.34000000000000064.dat | Sep 3, 2026, 3:37 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.35.dat | Sep 3, 2026, 3:32 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.35000000000000064.dat | Sep 3, 2026, 3:37 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.36000000000000065.dat | Sep 3, 2026, 3:37 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.37000000000000066.dat | Sep 3, 2026, 3:37 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.38000000000000067.dat | Sep 3, 2026, 3:37 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.3900000000000007.dat | Sep 3, 2026, 3:37 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.3999999999999998.dat | Sep 3, 2026, 3:36 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.4.dat | Sep 3, 2026, 3:32 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_0.4000000000000007.dat | Sep 3, 2026, 3:37 PM |
| psi4_energies_H4_c1_symmetry_z1_shift_3.3306690738754696e-16.dat | Sep 3, 2026, 3:36 PM |
| pyproject.toml | Sep 3, 2026, 10:27 AM |
| readme.pyOverviewLib | Sep 4, 2026, 8:41 AM |
| timer.dat | Sep 4, 2026, 8:39 AM |