From 5b30eb9b9f3b82425c125d7d743243ca2a86f36a Mon Sep 17 00:00:00 2001 From: Chen Nuo <49788094+Cstandardlib@users.noreply.github.com> Date: Tue, 1 Apr 2025 22:41:20 +0800 Subject: [PATCH 1/3] Correct docs/quik_start/output to show the actual case --- docs/quick_start/output.md | 7 ++++++- 1 file changed, 6 insertions(+), 1 deletion(-) diff --git a/docs/quick_start/output.md b/docs/quick_start/output.md index d00a6647d6f..186d38a36a4 100644 --- a/docs/quick_start/output.md +++ b/docs/quick_start/output.md @@ -6,7 +6,12 @@ The following files are the central output files for ABACUS. After executing the Different from `INPUT` given by the users, `OUT.suffix/INPUT` contains all parameters in ABACUS. -> **Note:** `OUT.suffix/INPUT` contain the initial default of ABACUS instead of the real parameters used in calculations. This file is stored for reproduction in case the default value is changed during development. If you want to figure out the real parameters used in calculations, you can open `OUT.suffix/runing_scf.log` and research corresponding parameter you are interested. +> **Note:** `OUT.suffix/INPUT` contains the **actual parameters used in the calculation**, including: +> 1. **User-specified parameters** (explicitly defined in your input file or command-line arguments, overriding default parameters). +> 2. **System default parameters** (automatically applied when not explicitly provided by the user). +This file ensures calculations can be fully reproduced, even if default values change in future ABACUS versions. + +Also notice that in rare cases, a small number of parameters may be dynamically reset to appropriate values during runtime. For a complete list of input parameters, please consult this [instruction](../advanced/input_files/input-main.md). From a0face6f8ac939337fb619df66717ccb9179c10a Mon Sep 17 00:00:00 2001 From: Chen Nuo <49788094+Cstandardlib@users.noreply.github.com> Date: Tue, 1 Apr 2025 23:59:24 +0800 Subject: [PATCH 2/3] Update output.md --- docs/quick_start/output.md | 1 + 1 file changed, 1 insertion(+) diff --git a/docs/quick_start/output.md b/docs/quick_start/output.md index 186d38a36a4..14e17bb0b33 100644 --- a/docs/quick_start/output.md +++ b/docs/quick_start/output.md @@ -9,6 +9,7 @@ Different from `INPUT` given by the users, `OUT.suffix/INPUT` contains all param > **Note:** `OUT.suffix/INPUT` contains the **actual parameters used in the calculation**, including: > 1. **User-specified parameters** (explicitly defined in your input file or command-line arguments, overriding default parameters). > 2. **System default parameters** (automatically applied when not explicitly provided by the user). + This file ensures calculations can be fully reproduced, even if default values change in future ABACUS versions. Also notice that in rare cases, a small number of parameters may be dynamically reset to appropriate values during runtime. From c75a7297d8bd7d4c7f4ac17c191f7a2fe155b9f0 Mon Sep 17 00:00:00 2001 From: Chen Nuo <49788094+Cstandardlib@users.noreply.github.com> Date: Wed, 2 Apr 2025 00:02:51 +0800 Subject: [PATCH 3/3] Update output.md --- docs/quick_start/output.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/quick_start/output.md b/docs/quick_start/output.md index 14e17bb0b33..e30d6e689a9 100644 --- a/docs/quick_start/output.md +++ b/docs/quick_start/output.md @@ -10,8 +10,8 @@ Different from `INPUT` given by the users, `OUT.suffix/INPUT` contains all param > 1. **User-specified parameters** (explicitly defined in your input file or command-line arguments, overriding default parameters). > 2. **System default parameters** (automatically applied when not explicitly provided by the user). -This file ensures calculations can be fully reproduced, even if default values change in future ABACUS versions. +This file ensures calculations can be fully reproduced, even if default values change in future ABACUS versions. Also notice that in rare cases, a small number of parameters may be dynamically reset to appropriate values during runtime. For a complete list of input parameters, please consult this [instruction](../advanced/input_files/input-main.md).