issues
search
rohskopf
/
modecode
Massively parallel vibrational mode calculator.
21
stars
8
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
SI for the article "A computational framework for modeling and simulating vibrational mode dynamics"
#17
TangDaosheng2017
opened
2 weeks ago
0
Using DeepMD lammps with ModeCode
#16
ZhihaoXu0313
opened
4 months ago
3
Some problem in my installation
#15
rookie-coder99
opened
9 months ago
5
LAMMPS installation
#14
Dexter5166
opened
11 months ago
8
Some concerns about the anharmonic phonon transport pathways
#13
lighty23
opened
1 year ago
10
Errors occuring when compile with lammps-30Jul2021 and lammps-23Jun2022
#12
lighty23
closed
1 year ago
2
Memory leak when using my own input files
#11
ejmeitz
closed
1 year ago
7
Update LAMMPS build instructions in ReadMe
#10
ejmeitz
closed
1 year ago
0
No postproc
#9
rohskopf
closed
2 years ago
0
Memory exceeded when performing finite displacement with DeepMD potential
#8
swyant
opened
2 years ago
3
Which .cpp code gets run first?
#7
kgordiz
closed
1 year ago
4
Spatial coupling constants are only calculated between pre-defined types.
#6
rohskopf
opened
3 years ago
0
Add tolerance to ifc2mcc tasks.
#5
rohskopf
opened
3 years ago
1
INPUT file has unnecessary lines.
#4
rohskopf
opened
3 years ago
0
Unnecessary inputs in fix mode
#3
rohskopf
opened
3 years ago
0
Modes are only properly calculated for periodic systems.
#2
rohskopf
opened
3 years ago
0
Atomic displacement calculations are not generalized for all box types in LAMMPS.
#1
rohskopf
opened
3 years ago
0