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madreher
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LammpsInputBuilder
LammpsInputBuilder (or LIB) is a Python library designed to generate Lammps inputs from a molecular model, a forcefield, and a high-level definition of a simulation workflow.
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is_model_load not present in the pydantic model of the MolecularTypedSystem
#29
madreher
opened
4 hours ago
1
Make package version depend on version.py
#28
madreher
opened
12 hours ago
0
unit.txt not in package
#27
madreher
closed
4 hours ago
1
Add __init__ in subfolders
#26
madreher
closed
1 day ago
1
Update badge
#25
madreher
closed
1 week ago
1
Release packaging
#24
madreher
closed
1 week ago
1
Packaging
#23
madreher
closed
1 week ago
1
Documentation schema
#22
madreher
closed
1 week ago
1
Documentation API
#21
madreher
closed
1 week ago
1
Add support for post extensions in the integratorsection.
#20
madreher
closed
1 month ago
1
Extensions declared after the integrator
#19
madreher
closed
1 month ago
0
Add support for rebo type forcefield.
#18
madreher
closed
1 month ago
1
Add Pydantic model generation
#17
madreher
closed
1 month ago
0
Pydantic model
#16
madreher
closed
1 month ago
1
Nameid
#15
madreher
closed
1 month ago
1
Rebo support
#14
madreher
closed
1 month ago
0
Reorganize the coverage trigger.
#13
madreher
closed
1 month ago
1
Single comment for coverage
#12
madreher
closed
1 month ago
2
Code coverage only once
#11
madreher
closed
1 month ago
0
Generate a badge.
#10
madreher
closed
1 month ago
2
Lint
#9
madreher
closed
1 month ago
1
Lint code
#8
madreher
closed
1 month ago
0
Update script generation to use list instead of str concat
#7
madreher
opened
1 month ago
0
Add manual objects where the developer can write commands directly.
#6
madreher
closed
1 month ago
1
Security on ID name
#5
madreher
closed
1 month ago
0
Add documentation for the Template
#4
madreher
closed
1 month ago
1
Packaging
#3
madreher
closed
1 week ago
1
Add Custom object
#2
madreher
closed
1 month ago
0
Add CI coverage.
#1
madreher
closed
2 months ago
1