8000 PHalat · GitHub
[go: up one dir, main page]

Skip to content
View PHalat's full-sized avatar

Block or report PHalat

Block user

Prevent this user from interacting with your repositories and sending you notifications. Learn more about blocking users.

You must be logged in to block users.

Content in all repositories owned by your account will be closed.
Maximum 250 characters. Please don’t include any personal information such as legal names or email addresses. This note will only be visible to you.
Report abuse

Contact GitHub support about this user’s behavior. Learn more about reporting abuse.

Report abuse

Popular repositories Loading

  1. LAMMPS LAMMPS Public

    A suite of codes to aid users create LAMMPS input files, to be used in conjuction with https://github.com/agiliopadua/fftool

    Python 1

  2. FMO-PIEDA FMO-PIEDA Public

    *Under Construction* A suite of codes to perform PIEDA analysis using FMO in GAMESS.

    Python 1

  3. ILDatabases ILDatabases Public

    Geometries of ionic liquid databases for method validation

    1

  4. psi4 psi4 Public

    Forked from psi4/psi4

    Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

    C++

  5. MD-FreeVolume-Code MD-FreeVolume-Code Public

    This repository contains code to calculate the free volume of trajectories obtained from LAMMPS software

    Python

  6. DeltaML-DFT DeltaML-DFT Public

    Files to accompany the submitted manuscript of Delta-ML DFT models created in the Monash Computational Chemistry Group

0