# DOSMaster
Link for dosmaster-pypi package(click the icon)
[](https://pypi.org/project/dosmaster/)
[](https://github.com/pyj6767/DOSMaster)
Program Name : dosmaster Program
Made by Youngjun Park (yjpark29@postech.ac.kr)
Inspired by Jaeseon Kim(CNMD)
Tested by Changhun Kim(CNMD), Suyun Chae(CNMD)
Description : DOS Plot Smartly in Terminal Environment
version.1.8.3 이 되면 CNMD 구성원 전체에게 공개
<p align="center">
<img src="https://github.com/user-attachments/assets/e01ac05e-5180-4485-a01d-306459d4a4d6" style="width:400px">
</img>
<img src="https://github.com/user-attachments/assets/859c7b95-6acb-49f6-bf01-2ecfadc00ba6" style="width:400px">
</img>
</p>
### Release History
ver.1.1 : 재시작 시 loading 속도 향상 (by Jaeseon Kim)
ver.1.2 : 최종 data 파일 저장 기능 추가
ver.1.3 : 버그 수정
ver.1.4.2 : PyPI에 올릴 수 있도록 수정
ver 1.7.13 : Packaging 진행, DOS_Sum, Average_DOS, Axis_Optimization 추가 및 각종 성능 향상
ver 1.8.1 : Label 버그 수정, 각종 버그 수정, Setting 저장 및 불러오기 기능 구현, DOS plot 저장 및 불러오기 기능 구현, shift_x_axis 구현, 연속된 숫자 입력 기능 확장, legend display 여부 선택 가능
ver 1.8.3 : ISPIN = 1 calculation 지원 및 각종 버그 수정
ver 1.8.4 : Lisence 수정
ver 1.8.5 : f orbital error 수정
ver 1.8.8 : Save plot in current directory - ylim optimization 시 오류 수정
ver 1.8.10 : f orbital sum error 수정
ver 1.8.12 : import 순서 error 수정
ver 1.8.15 : graph_editor-back 기능 수정(suggested by Hyeongbin Park(CNMD))
ver 1.8.16 : gaussian smearing 기능 추가(contributed by Siyeong Park(CNMD))
ver 1.8.22 : package version 확인 기능 추가
ver 1.8.24 : PROCAR 버그 수정 및 code generator 구현중
## Features
1) Add Atom DOS : 원하는 atom의 DOS를 추가합니다.
2) DOS Projection : 특정 DOS를 원하는 orbital로 projection 시킵니다.
3) Sum DOS : 특정 DOS들의 기여분을 합칩니다.
4) Average DOS : 특정 DOS들의 기여분을 평균화합니다.
5) Remove DOS : 특정 DOS를 지웁니다.
6) Plot only Positive/Negative part : DOS plot의 양/음수 부분만 plot합니다.
7) Edit Graph Style : 원하는 graph style로 바꿉니다.
8) Axis Optimization : 현재의 ylim을 현재의 DOS에 맞게 최적화시킵니다.
9) Import global custom setting (in package) : package 폴더 내의 나만의 graph setting을 불러옵니다.
10) Save global custom setting (in package) : package 폴더 내에 나만의 graph setting을 저장합니다.
11) Import DOSMaster plot from current directory : 현재 위치에 저장된 DOSMaster plot을 불러옵니다.
12) Save DOSMaster plot in current directory : 현재 위치에 지금까지 작업한 DOSMaster plot을 저장합니다.
## Package Download
$ pip install dosmaster
## Source Code Download
1) 서버의 ssh-key를 복사 : 다음의 명령어를 git clone할 서버에서 입력하면 나옴.
$ cat ~/.ssh/id_rsa.pub
3) 개인 github 계정의 - Settings - SSH keys and GPG keys - New SSH key 클릭
4) 복사한 ssh-key를 붙여넣고 key를 등록
5) 서버에서 다음 명령어를 입력하여, 소스코드 다운로드
$ git clone git@github.com:pyj6767/DOSMaster.git
### Requirements
$ pip install matplotlib
$ pip install numpy
$ pip install pandas
$ pip install ase
$ pip install colorama
### Preparation
$ chmod 775 dosmaster
## Run dosmaster
$ cd [DOS 계산한 폴더]
$ dosmaster
## License
DOSMaster is made available under the MIT License.
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"description": "# DOSMaster\n\nLink for dosmaster-pypi package(click the icon)\n\n[](https://pypi.org/project/dosmaster/)\n[](https://github.com/pyj6767/DOSMaster)\n\nProgram Name : dosmaster Program\n\nMade by Youngjun Park (yjpark29@postech.ac.kr)\n\nInspired by Jaeseon Kim(CNMD)\n\nTested by Changhun Kim(CNMD), Suyun Chae(CNMD)\n\nDescription : DOS Plot Smartly in Terminal Environment\n\nversion.1.8.3 \uc774 \ub418\uba74 CNMD \uad6c\uc131\uc6d0 \uc804\uccb4\uc5d0\uac8c \uacf5\uac1c\n\n<p align=\"center\">\n<img src=\"https://github.com/user-attachments/assets/e01ac05e-5180-4485-a01d-306459d4a4d6\" style=\"width:400px\">\n</img>\n\n<img src=\"https://github.com/user-attachments/assets/859c7b95-6acb-49f6-bf01-2ecfadc00ba6\" style=\"width:400px\">\n</img>\n</p>\n\n\n\n### Release History\n\nver.1.1 : \uc7ac\uc2dc\uc791 \uc2dc loading \uc18d\ub3c4 \ud5a5\uc0c1 (by Jaeseon Kim)\n\nver.1.2 : \ucd5c\uc885 data \ud30c\uc77c \uc800\uc7a5 \uae30\ub2a5 \ucd94\uac00\n\nver.1.3 : \ubc84\uadf8 \uc218\uc815\n\nver.1.4.2 : PyPI\uc5d0 \uc62c\ub9b4 \uc218 \uc788\ub3c4\ub85d \uc218\uc815\n\nver 1.7.13 : Packaging \uc9c4\ud589, DOS_Sum, Average_DOS, Axis_Optimization \ucd94\uac00 \ubc0f \uac01\uc885 \uc131\ub2a5 \ud5a5\uc0c1\n\nver 1.8.1 : Label \ubc84\uadf8 \uc218\uc815, \uac01\uc885 \ubc84\uadf8 \uc218\uc815, Setting \uc800\uc7a5 \ubc0f \ubd88\ub7ec\uc624\uae30 \uae30\ub2a5 \uad6c\ud604, DOS plot \uc800\uc7a5 \ubc0f \ubd88\ub7ec\uc624\uae30 \uae30\ub2a5 \uad6c\ud604, shift_x_axis \uad6c\ud604, \uc5f0\uc18d\ub41c \uc22b\uc790 \uc785\ub825 \uae30\ub2a5 \ud655\uc7a5, legend display \uc5ec\ubd80 \uc120\ud0dd \uac00\ub2a5\n\nver 1.8.3 : ISPIN = 1 calculation \uc9c0\uc6d0 \ubc0f \uac01\uc885 \ubc84\uadf8 \uc218\uc815\n\nver 1.8.4 : Lisence \uc218\uc815\n\nver 1.8.5 : f orbital error \uc218\uc815\n\nver 1.8.8 : Save plot in current directory - ylim optimization \uc2dc \uc624\ub958 \uc218\uc815\n\nver 1.8.10 : f orbital sum error \uc218\uc815\n\nver 1.8.12 : import \uc21c\uc11c error \uc218\uc815\n\nver 1.8.15 : graph_editor-back \uae30\ub2a5 \uc218\uc815(suggested by Hyeongbin Park(CNMD))\n\nver 1.8.16 : gaussian smearing \uae30\ub2a5 \ucd94\uac00(contributed by Siyeong Park(CNMD))\n\nver 1.8.22 : package version \ud655\uc778 \uae30\ub2a5 \ucd94\uac00\n\nver 1.8.24 : PROCAR \ubc84\uadf8 \uc218\uc815 \ubc0f code generator \uad6c\ud604\uc911\n\n## Features\n1) Add Atom DOS : \uc6d0\ud558\ub294 atom\uc758 DOS\ub97c \ucd94\uac00\ud569\ub2c8\ub2e4.\n2) DOS Projection : \ud2b9\uc815 DOS\ub97c \uc6d0\ud558\ub294 orbital\ub85c projection \uc2dc\ud0b5\ub2c8\ub2e4.\n3) Sum DOS : \ud2b9\uc815 DOS\ub4e4\uc758 \uae30\uc5ec\ubd84\uc744 \ud569\uce69\ub2c8\ub2e4.\n4) Average DOS : \ud2b9\uc815 DOS\ub4e4\uc758 \uae30\uc5ec\ubd84\uc744 \ud3c9\uade0\ud654\ud569\ub2c8\ub2e4.\n5) Remove DOS : \ud2b9\uc815 DOS\ub97c \uc9c0\uc6c1\ub2c8\ub2e4.\n6) Plot only Positive/Negative part : DOS plot\uc758 \uc591/\uc74c\uc218 \ubd80\ubd84\ub9cc plot\ud569\ub2c8\ub2e4.\n7) Edit Graph Style : \uc6d0\ud558\ub294 graph style\ub85c \ubc14\uafc9\ub2c8\ub2e4.\n8) Axis Optimization : \ud604\uc7ac\uc758 ylim\uc744 \ud604\uc7ac\uc758 DOS\uc5d0 \ub9de\uac8c \ucd5c\uc801\ud654\uc2dc\ud0b5\ub2c8\ub2e4.\n9) Import global custom setting (in package) : package \ud3f4\ub354 \ub0b4\uc758 \ub098\ub9cc\uc758 graph setting\uc744 \ubd88\ub7ec\uc635\ub2c8\ub2e4.\n10) Save global custom setting (in package) : package \ud3f4\ub354 \ub0b4\uc5d0 \ub098\ub9cc\uc758 graph setting\uc744 \uc800\uc7a5\ud569\ub2c8\ub2e4.\n11) Import DOSMaster plot from current directory : \ud604\uc7ac \uc704\uce58\uc5d0 \uc800\uc7a5\ub41c DOSMaster plot\uc744 \ubd88\ub7ec\uc635\ub2c8\ub2e4.\n12) Save DOSMaster plot in current directory : \ud604\uc7ac \uc704\uce58\uc5d0 \uc9c0\uae08\uae4c\uc9c0 \uc791\uc5c5\ud55c DOSMaster plot\uc744 \uc800\uc7a5\ud569\ub2c8\ub2e4.\n\n## Package Download\n\n $ pip install dosmaster\n\n\n## Source Code Download\n\n 1) \uc11c\ubc84\uc758 ssh-key\ub97c \ubcf5\uc0ac : \ub2e4\uc74c\uc758 \uba85\ub839\uc5b4\ub97c git clone\ud560 \uc11c\ubc84\uc5d0\uc11c \uc785\ub825\ud558\uba74 \ub098\uc634.\n\n\n $ cat ~/.ssh/id_rsa.pub\n 3) \uac1c\uc778 github \uacc4\uc815\uc758 - Settings - SSH keys and GPG keys - New SSH key \ud074\ub9ad\n 4) \ubcf5\uc0ac\ud55c ssh-key\ub97c \ubd99\uc5ec\ub123\uace0 key\ub97c \ub4f1\ub85d\n 5) \uc11c\ubc84\uc5d0\uc11c \ub2e4\uc74c \uba85\ub839\uc5b4\ub97c \uc785\ub825\ud558\uc5ec, \uc18c\uc2a4\ucf54\ub4dc \ub2e4\uc6b4\ub85c\ub4dc\n\n $ git clone git@github.com:pyj6767/DOSMaster.git\n\n### Requirements\n\n $ pip install matplotlib\n $ pip install numpy\n $ pip install pandas\n $ pip install ase\n $ pip install colorama\n\n\n### Preparation\n\n $ chmod 775 dosmaster\n\n## Run dosmaster\n\n $ cd [DOS \uacc4\uc0b0\ud55c \ud3f4\ub354]\n $ dosmaster\n\n\n## License\nDOSMaster is made available under the MIT License.\n",
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