(*.223.63.181) 조회 수 595 추천 수 0 댓글 0
?

단축키

Prev이전 문서

Next다음 문서

+ - Up Down Comment Print Files

Not like the LAMMPS, the “KISSMDQ” can’t calculate using parallel process so it is very slow. LAMMPS will be optimized in the future but not now.

 

you need to study how to use KISSMDQ.

I attached some files

  1. Kissmdq examples : examples of running kissmdq
    1. To run : “kissmdq md incar.~~” (~~=input script name)
    2. kissmdq = the program file after the compilation in step 2. (first, it will be “a.out”)
  2. Kissmdq_source_code : after you unzip the code, go inside the directory and do  “ifort main.f90” which is the process for fortran compile.
  3. Kissmdq_manual : introduction of input script

 

I hope this will help your research

Kind regards

Joonho Ji


LAMMPS Examples

for 2NN MEAM

List of Articles
번호 제목 글쓴이 날짜 조회 수
76 Potential parameter files for Al-O binary system file 이지수 2024.12.02 327
75 Potential parameter files for Fe-Nb-N ternary system file 왕재민 2024.02.29 251
74 LAMMPS potential parameter files for Fe-Ti-N system file 왕재민 2023.05.10 428
73 LAMMPS Potential parameters file for the Nb-Sn-Ti system file 오상호 2023.05.04 311
72 LAMMPS potential parameter files for Mo-Co-Ni-V-Fe-Al-Cr system file 왕재민 2023.03.28 624
71 Modified LAMMPS parameter files for the Co-Fe, V-Fe, and V + Cantor system file 도현석 2023.02.03 416
70 LAMMPS potential parameter files for Li-Co-Ni-Mn-O system file 지준호 2022.12.14 473
» How to use 2NNMEAM+Qeq in-house code "KISSMDQ" file 지준호 2022.08.01 595
68 LAMMPS potential parameter files for Mg-Mn system file 장효선 2022.07.20 362
67 LAMMPS potential parameter files for Li-Ni-O system 1 file 지준호 2022.06.23 554
66 LAMMPS Potential parameters file for the Nb-Sn system file 오상호 2022.05.26 227
65 LAMMPS Potential parameters file for Mn-Sn, Ni-Sn binary systems and Na-Cu-Sn, Na-Mn-Sn, Na-Ni-Sn ternary systems file 김용민 2022.04.15 511
64 LAMMPS parameters for V + Cantor alloy system file Byeong-Joo Lee 2021.07.23 526
63 LAMMPS Potential parameters file for V-M (M = Cu, Mo, Ti) systems file Admin 2021.03.29 542
62 LAMMPS Potential parameters file for Mo-Al, Mo-Co, Mo-Cr, Mo-Fe, Mo-Ni, and Mo-Ti systems file 오상호 2021.03.29 603
61 LAMMPS potential parameter files for Cu-H and Zr-Cu-H systems file 장효선 2020.12.17 480
60 LAMMPS Potential parameter file for pure Ce and Mg-Ce system file 이종관 2020.12.15 352
59 LAMMPS Potential parameter file for pure Na and Na-Sn system file 김용민 2020.11.10 378
58 How to use 2NNMEAM+Qeq potential in LAMMPS 1 file 지준호 2020.11.07 1988
57 LAMMPS potential parameter files for Mg-Al-Ca and Mg-Al-Zn ternary systems file 장효선 2020.10.10 655
Board Pagination ‹ Prev 1 2 3 4 Next ›
/ 4

나눔글꼴 설치 안내


이 PC에는 나눔글꼴이 설치되어 있지 않습니다.

이 사이트를 나눔글꼴로 보기 위해서는
나눔글꼴을 설치해야 합니다.

설치 취소

Designed by sketchbooks.co.kr / sketchbook5 board skin

Sketchbook5, 스케치북5

Sketchbook5, 스케치북5

Sketchbook5, 스케치북5

Sketchbook5, 스케치북5