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docs : fix a few places (#1288)
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* doc : fix typo

* fix bug in advanced/install.md

* emphasize that this is the basic version
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wenfei-li committed Sep 23, 2022
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19 changes: 1 addition & 18 deletions docs/advanced/install.md
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Expand Up @@ -148,23 +148,6 @@ LIBS = -lifcore -lm -lpthread ${LIBTORCH_LIB} ${LAPACK_LIB} ${FFTW_LIB} ${ELPA_L
OPTS = ${INCLUDES} -Ofast -traceback -std=c++14 -simd -march=native -xHost -m64 -qopenmp -Werror -Wall -pedantic -g
```

- module_base
- module_cell
- module_grid
- module_md
- module_neighbor
- module_orbital
- obj
- src_external
- src_global
- src_io
- module_relaxation
- src_lcao
- src_parallel
- src_pdiag
- src_pw
- src_ri

In `Makefile`, set the Macro as `HONG_DEEPKS`:

```Makefile
Expand All @@ -173,4 +156,4 @@ In `Makefile`, set the Macro as `HONG_DEEPKS`:
#HONG=${HONG_MPI_SELINV_20210523}
#HONG=${HONG_SER_SELINV}
HONG=${HONG_DEEPKS}
```
```
4 changes: 2 additions & 2 deletions docs/advanced/scf/construct_H.md
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Expand Up @@ -2,7 +2,7 @@

## Exchange-Correlation Functionals

In our package, the XC functional can either be set explicitly using the `dft_functional` keyword in `INPUT` file. If `dft_functional` is not specified, ABACUS will use the xc functional indicated in the pseudopotential file.
In our package, the XC functional can be set explicitly using the `dft_functional` keyword in `INPUT` file. If `dft_functional` is not specified, ABACUS will use the xc functional indicated in the pseudopotential file.

Several common functionals are implemented in ABACUS, such as PZ and PBE. Users can check out this [file](../../../source/module_xc/xc_funcs.h) for a complete list of functionals implemented in ABACUS. Furthermore, if ABACUS is compiled with LIBXC, we also support all the LDA, GGA and meta-GGA functionals provided therein.

Expand Down Expand Up @@ -50,7 +50,7 @@ Here, we use a simple [example calculation](https://github.com/deepmodeling/abac
Apart from the 'short-hand' names, ABACUS also allow supplying exchange-correlation functionals as combinations of LIBXC keywords for functional components, joined by plus sign, for example, setting:

```
dft_functional LDA_X_YUKAWA +LDA_C_1D_CSC
dft_functional LDA_X_YUKAWA+LDA_C_1D_CSC
```
means we are using the short-range Yukawa attenuated exchange along with the Casula, Sorella & Senatore LDA correlation functional.

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2 changes: 1 addition & 1 deletion docs/quick_start/easy_install.md
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@@ -1,6 +1,6 @@
# Easy Installation

This guide helps you install ABACUS with basic features. For DeePKS, Libxc support or building with `make`, please refer to [the advanced installation guide](../advanced/install.md). We recommend building ABACUS with `cmake` to avoid dependency issues.
This guide helps you install ABACUS with basic features. **For DeePKS, Libxc support or building with `make`, please refer to [the advanced installation guide](../advanced/install.md).** We recommend building ABACUS with `cmake` to avoid dependency issues.

## Prerequisites

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