Skip to content
Open
Show file tree
Hide file tree
Changes from all commits
Commits
File filter

Filter by extension

Filter by extension

Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
2 changes: 2 additions & 0 deletions .github/PULL_REQUEST_TEMPLATE/pull_request_template.md
Original file line number Diff line number Diff line change
@@ -1,7 +1,9 @@
### What problem does this PR address?

<!-- Provide a brief overview and link to the issue. Attach outputs, including screenshots (before/after), if helpful for the reviewer. -->

### What should the reviewer(s) do?

<!-- Merge the code, provide feedback, initiate a discussion, etc. -->

<!--
Expand Down
305 changes: 157 additions & 148 deletions src/diffpy/adpdf/pipeline.ipynb

Large diffs are not rendered by default.

Binary file added src/diffpy/adpdf/refine_frames/frame_000.png
Loading
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Binary file added src/diffpy/adpdf/refine_frames/frame_002.png
Loading
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Binary file added src/diffpy/adpdf/refine_frames/frame_004.png
Loading
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Binary file added src/diffpy/adpdf/refine_frames/frame_006.png
Loading
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Binary file added src/diffpy/adpdf/refine_frames/frame_008.png
Loading
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Binary file added src/diffpy/adpdf/refine_frames/frame_010.png
Loading
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Binary file added src/diffpy/adpdf/refine_frames/frame_012.png
Loading
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Binary file added src/diffpy/adpdf/refine_frames/frame_014.png
Loading
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Binary file added src/diffpy/adpdf/refine_frames/frame_016.png
Loading
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Binary file added src/diffpy/adpdf/refine_frames/frame_018.png
Loading
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Binary file added src/diffpy/adpdf/refine_frames/frame_020.png
Loading
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Binary file added src/diffpy/adpdf/refine_frames/frame_022.png
Loading
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Binary file added src/diffpy/adpdf/refine_frames/frame_024.png
Loading
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
20 changes: 10 additions & 10 deletions src/diffpy/adpdf/sim/dpdf_from_cif.ipynb
Original file line number Diff line number Diff line change
Expand Up @@ -3,7 +3,7 @@
{
"cell_type": "code",
"execution_count": null,
"id": "cf1d3fdb",
"id": "0",
"metadata": {},
"outputs": [],
"source": [
Expand All @@ -15,7 +15,7 @@
{
"cell_type": "code",
"execution_count": null,
"id": "b252e4e3",
"id": "1",
"metadata": {},
"outputs": [],
"source": [
Expand Down Expand Up @@ -46,7 +46,7 @@
{
"cell_type": "code",
"execution_count": null,
"id": "b389214f",
"id": "2",
"metadata": {},
"outputs": [],
"source": [
Expand All @@ -64,7 +64,7 @@
{
"cell_type": "code",
"execution_count": null,
"id": "04c3a69b",
"id": "3",
"metadata": {},
"outputs": [],
"source": [
Expand Down Expand Up @@ -129,7 +129,7 @@
{
"cell_type": "code",
"execution_count": null,
"id": "0c4c0a58",
"id": "4",
"metadata": {},
"outputs": [],
"source": [
Expand All @@ -156,7 +156,7 @@
{
"cell_type": "code",
"execution_count": null,
"id": "0871cbbd",
"id": "5",
"metadata": {},
"outputs": [],
"source": [
Expand Down Expand Up @@ -222,7 +222,7 @@
{
"cell_type": "code",
"execution_count": null,
"id": "df8e1593",
"id": "6",
"metadata": {},
"outputs": [],
"source": [
Expand Down Expand Up @@ -260,7 +260,7 @@
{
"cell_type": "code",
"execution_count": null,
"id": "ec37076a",
"id": "7",
"metadata": {},
"outputs": [],
"source": [
Expand Down Expand Up @@ -345,7 +345,7 @@
{
"cell_type": "code",
"execution_count": null,
"id": "d99c0157",
"id": "8",
"metadata": {},
"outputs": [],
"source": [
Expand All @@ -367,7 +367,7 @@
{
"cell_type": "code",
"execution_count": null,
"id": "3b73ec58",
"id": "9",
"metadata": {},
"outputs": [],
"source": [
Expand Down
138 changes: 10 additions & 128 deletions src/diffpy/adpdf/sim/simtest.ipynb

Large diffs are not rendered by default.

95 changes: 11 additions & 84 deletions src/diffpy/adpdf/test.ipynb

Large diffs are not rendered by default.