jkrajniak

package main

import (
	"context"
	"fmt"
	"strings"
	"time"

	"github.com/pkg/errors"

jkrajniak

*
!*.pdf
!*.jpeg
!*.jpg
!*.png
!*.eps
!*.epsf
!*.epsi
!*.pgf
!*.tikz

jkrajniak

#!/usr/bin/env python

import sys
import time
import espressomd


system = espressomd.System()
#gamma = 0.001, ftol=1.0, displa 0.001
system.minimize_energy.init(

jkrajniak

BUTANE_UA
16000
    1BUT     C1    1   3.993   1.000   4.335
    1BUT     C2    2   3.849   1.048   4.347
    1BUT     C3    3   3.842   1.184   4.282
    1BUT     C4    4   3.712   1.225   4.222
    2BUT     C1    5  13.166   4.707   3.523
    2BUT     C2    6  13.085   4.646   3.635
    2BUT     C3    7  13.085   4.740   3.761
    2BUT     C4    8  12.953   4.737   3.837

jkrajniak

<topology>
    <h5md_particle_group name="atoms" />
    <molecules>
        <molecule name="BUT" nmols="4000" nbeads="4">
            <bead name="C1" type="C" mass="15.035" q="0.0" />
            <bead name="C2" type="C" mass="14.028" q="0.0" />
            <bead name="C3" type="C" mass="14.028" q="0.0" />
            <bead name="C4" type="C" mass="15.035" q="0.0" />
        </molecule>
    </molecules>

jkrajniak

/* * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * *
* Copyright by The HDF Group. *
* Copyright by the Board of Trustees of the University of Illinois. *
* All rights reserved. *
* *
* This file is part of HDF5. The full HDF5 copyright notice, including *
* terms governing use, modification, and redistribution, is contained in *
* the files COPYING and Copyright.html. COPYING can be found at the root *
* of the source code distribution tree; Copyright.html can be found at the *
* root level of an installed copy of the electronic HDF5 document set and *

jkrajniak

# Simple auto login program for network on Katholieke Universiteit Leuven
# Author: Jakub Krajniak <jkrajniak at gmail dot com>
# License: GPLv2
#
# Requirements:
#  - Python >= 2.7
#  - mechanize (http://wwwsearch.sourceforge.net/mechanize/)

import argparse
import mechanize

jkrajniak

#!/bin/bash
# 
# [email protected] (Jakub Krajniak)
# 
# Very simply script that allows to mount the sshfs filesystem
# based on the definition in $HOME/.sshfs
# 
# .sshfs:
# <remote mount point> <optional options> <local mount point>
#