andersx

#!/usr/bin/env python3

import sys

from copy import deepcopy
import numpy as np

import scipy.linalg
from scipy.linalg import norm

andersx

#!/usr/bin/env bash

# mcgif.pml
# # load opt.xyz
# show sticks, all
# bg_color white
# color grey05, elem c
# preset.ball_and_stick(selection='all', mode=1)
# set ray_trace_mode, 1
# viewport 1024, 768

andersx

// #include <stdio.h>
// uncomment include statement and printf calls
// to enable debug output

// LD_PRELOAD hacck to use MKL on AMD CPUs
//
// compiling:
// icx -shared -fPIC -o libfakeintel.so libfakeintel.c
//
// useage: