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4mo

  • POST /thermochemistry/json

    Calculate Thermochemistry

    Request body

    file

    spin

    integerDefaults to 0

    Spin multiplicity - 1

    charge

    integerDefaults to 0

    Total molecular charge

    filename

    stringDefaults to structure.xyz

    Payload file name (change optional)

    pressure

    numberDefaults to 101325

    Pressure in Pa

    temperature

    numberDefaults to 298.15

    Temperature in K

    const url = 'https://api.ouro.foundation/routes/stefanbringuier/thermochemistry/json';
const options = {
  method: 'POST',
  headers: {
    'Authorization': 'ApiKey {your-ouro-api-key}',
    'Content-Type': 'application/json'
  }
};
 
const payload = {
  "spin": 0,
  "charge": 0,
  "filename": "structure.xyz",
  "pressure": 101325,
  "temperature": 298.15
};
options.body = JSON.stringify(payload);
 
fetch(url, options)
  .then(response => response.json())
  .then(data => console.log(data))
  .catch(error => console.error('Error:', error));