semvec/pypi-packages huggingface dataset:
bitmap 0.0.7
.

BitMap for python
=================

This package provides a `BitMap` class which is an array of bits stored in compact format.

# Installation

`bitmap` can be installed from `pip`:

```bash
$ sudo pip install bitmap
```

# Functions

- `BitMap(maxnum)`: construct a `BitMap` object with `maxnum` bits
- `set(pos)`: set the bit at position `pos` to 1
- `reset(pos)`: reset the bit at position `pos` to 0
- `flip(pos)`: flip the bit at position `pos`
- `count()`: return the number of 1s
- `size()`: return the size of the `BitMap`
- `test(pos)`: check if bit at position `pos` has been set to 1
- `any()`: check if any bit in the `BitMap` has been set to 1
- `none()`: check if none of the bits in the `BitMap` has been set to 1
- `all()`: check if all bits in the `BitMap` has been set to 1
- `nonzero()`: return indexes of all non-zero bits
- `tostring()`: convert a `BitMap` object to `0` and `1` string
- `fromstring(bitstring)`: create a `BitMap` object from `0` and `1` string

# Examples

```python
from bitmap import BitMap
bm = BitMap(32)
print bm.tostring()
bm.set(1)
print bm.tostring()

bm = BitMap.fromstring("00011101")
print bm.tostring()
bm.flip(1)
print bm.tostring()
```
gmsfile 0.1.4
A converter from XYZ to GAMESS file
Requires Python: >=3.0

## XYZ to GAMESS file converter
This is a simple package You can use it by calling

>   from gmsfile import gms

>   mol=gms("mol.xyz")

>   mol.runtyp("opt")

    mol.basis('6-31G*')

>   mol.writefile("mol.inp")


This will convert your xyz file to a gamess input file that you can run
in GAMESS for optimization of a molecule.