Analabha Roy

Feature Request

1

Maybe add a html link to the actual service in each item in the "Services Status" box (if it is a web service)? A quick and dirty hack of "js/esm.js"...

No nn, just trying to integrate multiple IC's in parallel in the gpu using odeint

1

So if I run a for-loop over multiple initial conditions while calling odeint().to("cuda"), it serializes the performance. Something like ``` import numpy as np import time import torch from torchdiffeq...

baseurl option for working with reverse proxies

2

Any thoughts on adding an option to change the baseurl? I ask because it'd be cool if this could work with reverse proxies like nginx

Spinless fermionic tight binding: Time evolution yields AssertionError

3

Hi, Noob here. Tried to time-evolve a TB Hamiltonian for spinless fermions, strting from a half-filled state ```python import fqe from openfermion import FermionOperator,hermitian_conjugated N=2 M=4 half_full = fqe.get_wavefunction(N, N,...

I've added my tgslurmbot to a group as admin where it posts messages. Since a couple of days ago, every time anyone posts something, it replies: ```bash Sorry, I'm not...

systemd for tgslurmbot (and possibly the other ones)

2

This works: ```bash [Unit] Description=TelegramBot for goslmailer DefaultDependencies=no Wants=network-online.target After=network.target network-online.target [Service] Type=simple User=slurm WorkingDirectory=/ ExecStart=/usr/local/bin/tgslurmbot [Install] WantedBy=multi-user.target ``` Maybe put it in? Just a suggestion.

Hi all, Installed gromacs_py from conda-forge with containerized GROMACS:2024.2 with GPU support. ## TL;DR Tied to prepare topology of a protein (zebrafish-hb) using AMBER ff in `gromacs_py`, then generate a...

AutoLigand: AttributeError 'module string has no attribute split' in Python 3

2

# Description AutoLigand (AutoDockTools_py3) contains Python2-style calls to string.split(...) which crash under Python 3 (AttributeError: module 'string' has no attribute 'split'). This prevents AutoLigand from running in modern Python environments....