From 07902c33c8711463045f311d2ebc2d2c81138d27 Mon Sep 17 00:00:00 2001 From: denghuilu Date: Wed, 8 Nov 2023 17:09:07 +0800 Subject: [PATCH 1/2] doc: add doc introductions for input/precision flag --- docs/advanced/input_files/input-main.md | 16 ++++++++++++++++ 1 file changed, 16 insertions(+) diff --git a/docs/advanced/input_files/input-main.md b/docs/advanced/input_files/input-main.md index ad5e5577577..aee36417238 100644 --- a/docs/advanced/input_files/input-main.md +++ b/docs/advanced/input_files/input-main.md @@ -28,6 +28,7 @@ - [kspacing](#kspacing) - [min\_dist\_coef](#min_dist_coef) - [device](#device) + - [precision](#precision) - [Variables related to input files](#variables-related-to-input-files) - [stru\_file](#stru_file) - [kpoint\_file](#kpoint_file) @@ -627,6 +628,21 @@ If only one value is set (such as `kspacing 0.5`), then kspacing values of a/b/c - cg/bpcg/dav ks_solver: required by the `gpu` acceleration options - **Default**: cpu +### precision + +- **Type**: String +- **Description**: Specifies the precision of the PW_SCF calculation. + + Available options are: + + - single: single precision + - double: double precision + + Known limitations: + + - pw basis: required by the `single` precision options + - cg/bpcg/dav ks_solver: required by the `single` precision options + [back to top](#full-list-of-input-keywords) ## Variables related to input files From 9fbf364af0efe7d1bf133321e90d20ea24aecd13 Mon Sep 17 00:00:00 2001 From: denghuilu Date: Thu, 9 Nov 2023 09:32:00 +0800 Subject: [PATCH 2/2] add default value --- docs/advanced/input_files/input-main.md | 1 + 1 file changed, 1 insertion(+) diff --git a/docs/advanced/input_files/input-main.md b/docs/advanced/input_files/input-main.md index aee36417238..08b28310acd 100644 --- a/docs/advanced/input_files/input-main.md +++ b/docs/advanced/input_files/input-main.md @@ -642,6 +642,7 @@ If only one value is set (such as `kspacing 0.5`), then kspacing values of a/b/c - pw basis: required by the `single` precision options - cg/bpcg/dav ks_solver: required by the `single` precision options +- **Default**: double [back to top](#full-list-of-input-keywords)