Skip to content

Commit

Permalink
deploy: 5f13d9e
Browse files Browse the repository at this point in the history
  • Loading branch information
@kevinsung
kevinsung committed Oct 25, 2023
1 parent 1313a6e commit ad93c9f
Show file tree
Hide file tree
Showing 27 changed files with 425 additions and 424 deletions.
Binary file modified .doctrees/api/ffsim.doctree
View file
Binary file not shown.
Binary file modified .doctrees/environment.pickle
View file
Binary file not shown.
24 changes: 12 additions & 12 deletions .doctrees/nbsphinx/tutorials/01-introduction.ipynb
View file
Original file line number Diff line number Diff line change
Expand Up @@ -16,10 +16,10 @@
"execution_count": 1,
"metadata": {
"execution": {
"iopub.execute_input": "2023-10-25T21:08:37.370047Z",
"iopub.status.busy": "2023-10-25T21:08:37.369618Z",
"iopub.status.idle": "2023-10-25T21:08:37.729712Z",
"shell.execute_reply": "2023-10-25T21:08:37.728661Z"
"iopub.execute_input": "2023-10-25T21:23:43.524850Z",
"iopub.status.busy": "2023-10-25T21:23:43.524180Z",
"iopub.status.idle": "2023-10-25T21:23:43.929037Z",
"shell.execute_reply": "2023-10-25T21:23:43.928146Z"
}
},
"outputs": [],
Expand Down Expand Up @@ -62,10 +62,10 @@
"execution_count": 2,
"metadata": {
"execution": {
"iopub.execute_input": "2023-10-25T21:08:37.734177Z",
"iopub.status.busy": "2023-10-25T21:08:37.733587Z",
"iopub.status.idle": "2023-10-25T21:08:37.738009Z",
"shell.execute_reply": "2023-10-25T21:08:37.737381Z"
"iopub.execute_input": "2023-10-25T21:23:43.934173Z",
"iopub.status.busy": "2023-10-25T21:23:43.932784Z",
"iopub.status.idle": "2023-10-25T21:23:43.939675Z",
"shell.execute_reply": "2023-10-25T21:23:43.938965Z"
}
},
"outputs": [],
Expand Down Expand Up @@ -93,10 +93,10 @@
"execution_count": 3,
"metadata": {
"execution": {
"iopub.execute_input": "2023-10-25T21:08:37.741569Z",
"iopub.status.busy": "2023-10-25T21:08:37.741092Z",
"iopub.status.idle": "2023-10-25T21:08:37.744522Z",
"shell.execute_reply": "2023-10-25T21:08:37.743856Z"
"iopub.execute_input": "2023-10-25T21:23:43.945047Z",
"iopub.status.busy": "2023-10-25T21:23:43.943679Z",
"iopub.status.idle": "2023-10-25T21:23:43.948994Z",
"shell.execute_reply": "2023-10-25T21:23:43.948286Z"
}
},
"outputs": [],
Expand Down
32 changes: 16 additions & 16 deletions .doctrees/nbsphinx/tutorials/02-orbital-rotation.ipynb
View file
Original file line number Diff line number Diff line change
Expand Up @@ -43,10 +43,10 @@
"execution_count": 1,
"metadata": {
"execution": {
"iopub.execute_input": "2023-10-25T21:08:39.742918Z",
"iopub.status.busy": "2023-10-25T21:08:39.742349Z",
"iopub.status.idle": "2023-10-25T21:08:40.131149Z",
"shell.execute_reply": "2023-10-25T21:08:40.130262Z"
"iopub.execute_input": "2023-10-25T21:23:45.925733Z",
"iopub.status.busy": "2023-10-25T21:23:45.925236Z",
"iopub.status.idle": "2023-10-25T21:23:46.338739Z",
"shell.execute_reply": "2023-10-25T21:23:46.337893Z"
}
},
"outputs": [],
Expand Down Expand Up @@ -111,10 +111,10 @@
"execution_count": 2,
"metadata": {
"execution": {
"iopub.execute_input": "2023-10-25T21:08:40.135978Z",
"iopub.status.busy": "2023-10-25T21:08:40.135513Z",
"iopub.status.idle": "2023-10-25T21:08:40.175106Z",
"shell.execute_reply": "2023-10-25T21:08:40.174099Z"
"iopub.execute_input": "2023-10-25T21:23:46.344595Z",
"iopub.status.busy": "2023-10-25T21:23:46.343237Z",
"iopub.status.idle": "2023-10-25T21:23:46.381753Z",
"shell.execute_reply": "2023-10-25T21:23:46.380978Z"
}
},
"outputs": [],
Expand Down Expand Up @@ -158,10 +158,10 @@
"execution_count": 3,
"metadata": {
"execution": {
"iopub.execute_input": "2023-10-25T21:08:40.180565Z",
"iopub.status.busy": "2023-10-25T21:08:40.179394Z",
"iopub.status.idle": "2023-10-25T21:08:40.194618Z",
"shell.execute_reply": "2023-10-25T21:08:40.193830Z"
"iopub.execute_input": "2023-10-25T21:23:46.387269Z",
"iopub.status.busy": "2023-10-25T21:23:46.386032Z",
"iopub.status.idle": "2023-10-25T21:23:46.400957Z",
"shell.execute_reply": "2023-10-25T21:23:46.400222Z"
}
},
"outputs": [],
Expand Down Expand Up @@ -201,10 +201,10 @@
"execution_count": 4,
"metadata": {
"execution": {
"iopub.execute_input": "2023-10-25T21:08:40.198998Z",
"iopub.status.busy": "2023-10-25T21:08:40.197895Z",
"iopub.status.idle": "2023-10-25T21:08:40.205019Z",
"shell.execute_reply": "2023-10-25T21:08:40.204228Z"
"iopub.execute_input": "2023-10-25T21:23:46.405880Z",
"iopub.status.busy": "2023-10-25T21:23:46.404686Z",
"iopub.status.idle": "2023-10-25T21:23:46.411997Z",
"shell.execute_reply": "2023-10-25T21:23:46.411293Z"
}
},
"outputs": [],
Expand Down
80 changes: 40 additions & 40 deletions .doctrees/nbsphinx/tutorials/03-double-factorized.ipynb
View file
Original file line number Diff line number Diff line change
Expand Up @@ -43,10 +43,10 @@
"execution_count": 1,
"metadata": {
"execution": {
"iopub.execute_input": "2023-10-25T21:08:41.954783Z",
"iopub.status.busy": "2023-10-25T21:08:41.954389Z",
"iopub.status.idle": "2023-10-25T21:08:42.447245Z",
"shell.execute_reply": "2023-10-25T21:08:42.446529Z"
"iopub.execute_input": "2023-10-25T21:23:48.294613Z",
"iopub.status.busy": "2023-10-25T21:23:48.294371Z",
"iopub.status.idle": "2023-10-25T21:23:48.809817Z",
"shell.execute_reply": "2023-10-25T21:23:48.808969Z"
}
},
"outputs": [
Expand Down Expand Up @@ -92,10 +92,10 @@
"execution_count": 2,
"metadata": {
"execution": {
"iopub.execute_input": "2023-10-25T21:08:42.465427Z",
"iopub.status.busy": "2023-10-25T21:08:42.465038Z",
"iopub.status.idle": "2023-10-25T21:08:42.472055Z",
"shell.execute_reply": "2023-10-25T21:08:42.471478Z"
"iopub.execute_input": "2023-10-25T21:23:48.821135Z",
"iopub.status.busy": "2023-10-25T21:23:48.820349Z",
"iopub.status.idle": "2023-10-25T21:23:48.828642Z",
"shell.execute_reply": "2023-10-25T21:23:48.827863Z"
}
},
"outputs": [
Expand Down Expand Up @@ -226,10 +226,10 @@
"execution_count": 3,
"metadata": {
"execution": {
"iopub.execute_input": "2023-10-25T21:08:42.475371Z",
"iopub.status.busy": "2023-10-25T21:08:42.474914Z",
"iopub.status.idle": "2023-10-25T21:08:42.480136Z",
"shell.execute_reply": "2023-10-25T21:08:42.479530Z"
"iopub.execute_input": "2023-10-25T21:23:48.832543Z",
"iopub.status.busy": "2023-10-25T21:23:48.831797Z",
"iopub.status.idle": "2023-10-25T21:23:48.838100Z",
"shell.execute_reply": "2023-10-25T21:23:48.837253Z"
}
},
"outputs": [],
Expand Down Expand Up @@ -284,10 +284,10 @@
"execution_count": 4,
"metadata": {
"execution": {
"iopub.execute_input": "2023-10-25T21:08:42.483229Z",
"iopub.status.busy": "2023-10-25T21:08:42.482635Z",
"iopub.status.idle": "2023-10-25T21:08:42.487395Z",
"shell.execute_reply": "2023-10-25T21:08:42.486648Z"
"iopub.execute_input": "2023-10-25T21:23:48.842693Z",
"iopub.status.busy": "2023-10-25T21:23:48.841984Z",
"iopub.status.idle": "2023-10-25T21:23:48.847119Z",
"shell.execute_reply": "2023-10-25T21:23:48.846346Z"
}
},
"outputs": [],
Expand Down Expand Up @@ -324,10 +324,10 @@
"execution_count": 5,
"metadata": {
"execution": {
"iopub.execute_input": "2023-10-25T21:08:42.490423Z",
"iopub.status.busy": "2023-10-25T21:08:42.490047Z",
"iopub.status.idle": "2023-10-25T21:08:42.496121Z",
"shell.execute_reply": "2023-10-25T21:08:42.495452Z"
"iopub.execute_input": "2023-10-25T21:23:48.850779Z",
"iopub.status.busy": "2023-10-25T21:23:48.850094Z",
"iopub.status.idle": "2023-10-25T21:23:48.859338Z",
"shell.execute_reply": "2023-10-25T21:23:48.858506Z"
}
},
"outputs": [
Expand Down Expand Up @@ -366,10 +366,10 @@
"execution_count": 6,
"metadata": {
"execution": {
"iopub.execute_input": "2023-10-25T21:08:42.499169Z",
"iopub.status.busy": "2023-10-25T21:08:42.498798Z",
"iopub.status.idle": "2023-10-25T21:08:42.513602Z",
"shell.execute_reply": "2023-10-25T21:08:42.512833Z"
"iopub.execute_input": "2023-10-25T21:23:48.863166Z",
"iopub.status.busy": "2023-10-25T21:23:48.862637Z",
"iopub.status.idle": "2023-10-25T21:23:48.879033Z",
"shell.execute_reply": "2023-10-25T21:23:48.878249Z"
}
},
"outputs": [
Expand Down Expand Up @@ -408,10 +408,10 @@
"execution_count": 7,
"metadata": {
"execution": {
"iopub.execute_input": "2023-10-25T21:08:42.517185Z",
"iopub.status.busy": "2023-10-25T21:08:42.516593Z",
"iopub.status.idle": "2023-10-25T21:08:42.526898Z",
"shell.execute_reply": "2023-10-25T21:08:42.526265Z"
"iopub.execute_input": "2023-10-25T21:23:48.882909Z",
"iopub.status.busy": "2023-10-25T21:23:48.882377Z",
"iopub.status.idle": "2023-10-25T21:23:48.896752Z",
"shell.execute_reply": "2023-10-25T21:23:48.895989Z"
}
},
"outputs": [
Expand Down Expand Up @@ -449,10 +449,10 @@
"execution_count": 8,
"metadata": {
"execution": {
"iopub.execute_input": "2023-10-25T21:08:42.529939Z",
"iopub.status.busy": "2023-10-25T21:08:42.529675Z",
"iopub.status.idle": "2023-10-25T21:08:42.591076Z",
"shell.execute_reply": "2023-10-25T21:08:42.589087Z"
"iopub.execute_input": "2023-10-25T21:23:48.902302Z",
"iopub.status.busy": "2023-10-25T21:23:48.901616Z",
"iopub.status.idle": "2023-10-25T21:23:48.966799Z",
"shell.execute_reply": "2023-10-25T21:23:48.966016Z"
}
},
"outputs": [
Expand Down Expand Up @@ -492,10 +492,10 @@
"execution_count": 9,
"metadata": {
"execution": {
"iopub.execute_input": "2023-10-25T21:08:42.595003Z",
"iopub.status.busy": "2023-10-25T21:08:42.594745Z",
"iopub.status.idle": "2023-10-25T21:08:42.634491Z",
"shell.execute_reply": "2023-10-25T21:08:42.632865Z"
"iopub.execute_input": "2023-10-25T21:23:48.970208Z",
"iopub.status.busy": "2023-10-25T21:23:48.969817Z",
"iopub.status.idle": "2023-10-25T21:23:49.017937Z",
"shell.execute_reply": "2023-10-25T21:23:49.016112Z"
}
},
"outputs": [
Expand Down Expand Up @@ -534,10 +534,10 @@
"execution_count": 10,
"metadata": {
"execution": {
"iopub.execute_input": "2023-10-25T21:08:42.637571Z",
"iopub.status.busy": "2023-10-25T21:08:42.637290Z",
"iopub.status.idle": "2023-10-25T21:08:42.656002Z",
"shell.execute_reply": "2023-10-25T21:08:42.655099Z"
"iopub.execute_input": "2023-10-25T21:23:49.021196Z",
"iopub.status.busy": "2023-10-25T21:23:49.020887Z",
"iopub.status.idle": "2023-10-25T21:23:49.042311Z",
"shell.execute_reply": "2023-10-25T21:23:49.041291Z"
}
},
"outputs": [
Expand Down
60 changes: 30 additions & 30 deletions .doctrees/nbsphinx/tutorials/04-lucj.ipynb
View file
Original file line number Diff line number Diff line change
Expand Up @@ -14,10 +14,10 @@
"execution_count": 1,
"metadata": {
"execution": {
"iopub.execute_input": "2023-10-25T21:08:45.105023Z",
"iopub.status.busy": "2023-10-25T21:08:45.104562Z",
"iopub.status.idle": "2023-10-25T21:08:45.863579Z",
"shell.execute_reply": "2023-10-25T21:08:45.862792Z"
"iopub.execute_input": "2023-10-25T21:23:51.665521Z",
"iopub.status.busy": "2023-10-25T21:23:51.665085Z",
"iopub.status.idle": "2023-10-25T21:23:52.357935Z",
"shell.execute_reply": "2023-10-25T21:23:52.356945Z"
}
},
"outputs": [
Expand Down Expand Up @@ -110,25 +110,25 @@
"execution_count": 2,
"metadata": {
"execution": {
"iopub.execute_input": "2023-10-25T21:08:45.867938Z",
"iopub.status.busy": "2023-10-25T21:08:45.867567Z",
"iopub.status.idle": "2023-10-25T21:08:46.277606Z",
"shell.execute_reply": "2023-10-25T21:08:46.276825Z"
"iopub.execute_input": "2023-10-25T21:23:52.362155Z",
"iopub.status.busy": "2023-10-25T21:23:52.361561Z",
"iopub.status.idle": "2023-10-25T21:23:52.812222Z",
"shell.execute_reply": "2023-10-25T21:23:52.811400Z"
}
},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"E(CCSD) = -77.49387212754471 E_corr = -0.04824536314851303\n"
"E(CCSD) = -77.49387212754469 E_corr = -0.04824536314851825\n"
]
},
{
"name": "stdout",
"output_type": "stream",
"text": [
"Energy at initialialization: -77.46975600021699\n"
"Energy at initialialization: -77.4697560002168\n"
]
}
],
Expand Down Expand Up @@ -176,10 +176,10 @@
"execution_count": 3,
"metadata": {
"execution": {
"iopub.execute_input": "2023-10-25T21:08:46.281912Z",
"iopub.status.busy": "2023-10-25T21:08:46.281588Z",
"iopub.status.idle": "2023-10-25T21:11:02.689620Z",
"shell.execute_reply": "2023-10-25T21:11:02.688854Z"
"iopub.execute_input": "2023-10-25T21:23:52.815997Z",
"iopub.status.busy": "2023-10-25T21:23:52.815720Z",
"iopub.status.idle": "2023-10-25T21:25:22.591616Z",
"shell.execute_reply": "2023-10-25T21:25:22.590819Z"
}
},
"outputs": [
Expand All @@ -191,12 +191,12 @@
" message: CONVERGENCE: REL_REDUCTION_OF_F_<=_FACTR*EPSMCH\n",
" success: True\n",
" status: 0\n",
" fun: -77.62901375934794\n",
" x: [-4.637e-01 -1.945e-01 ... 1.034e+00 -1.238e-01]\n",
" nit: 400\n",
" jac: [ 2.416e-05 5.684e-05 ... -7.105e-05 1.194e-04]\n",
" nfev: 30879\n",
" njev: 423\n",
" fun: -77.62899894653802\n",
" x: [-1.006e-01 8.255e-01 ... -4.338e-01 2.720e-02]\n",
" nit: 259\n",
" jac: [-1.606e-04 1.421e-06 ... 3.723e-04 -5.002e-04]\n",
" nfev: 20878\n",
" njev: 286\n",
" hess_inv: <72x72 LbfgsInvHessProduct with dtype=float64>\n"
]
}
Expand Down Expand Up @@ -251,10 +251,10 @@
"execution_count": 4,
"metadata": {
"execution": {
"iopub.execute_input": "2023-10-25T21:11:02.693400Z",
"iopub.status.busy": "2023-10-25T21:11:02.692958Z",
"iopub.status.idle": "2023-10-25T21:12:09.530144Z",
"shell.execute_reply": "2023-10-25T21:12:09.529410Z"
"iopub.execute_input": "2023-10-25T21:25:22.595894Z",
"iopub.status.busy": "2023-10-25T21:25:22.595650Z",
"iopub.status.idle": "2023-10-25T21:26:59.705928Z",
"shell.execute_reply": "2023-10-25T21:26:59.705132Z"
}
},
"outputs": [
Expand All @@ -266,12 +266,12 @@
" message: CONVERGENCE: REL_REDUCTION_OF_F_<=_FACTR*EPSMCH\n",
" success: True\n",
" status: 0\n",
" fun: -77.62770871564896\n",
" x: [-9.623e-01 -5.263e-01 ... -3.172e-02 -8.555e-01]\n",
" nit: 308\n",
" jac: [-3.837e-05 2.700e-05 ... -2.416e-04 1.307e-04]\n",
" nfev: 15510\n",
" njev: 330\n",
" fun: -77.62880193004261\n",
" x: [-1.281e+00 2.459e-01 ... -3.052e-01 2.119e-01]\n",
" nit: 452\n",
" jac: [-5.116e-04 2.771e-04 ... 7.461e-04 -2.089e-04]\n",
" nfev: 22513\n",
" njev: 479\n",
" hess_inv: <46x46 LbfgsInvHessProduct with dtype=float64>\n"
]
}
Expand Down
Loading

0 comments on commit ad93c9f

Please sign in to comment.