| /************************************************************************************************************* | |
| The MIT License | |
| Copyright (C) 2006-2019 David Dubbeldam, Sofia Calero, Thijs Vlugt, Donald E. Ellis, and Randall Q. Snurr. | |
| D.Dubbeldam@uva.nl http://www.uva.nl/profiel/d/u/d.dubbeldam/d.dubbeldam.html | |
| scaldia@upo.es http://www.upo.es/raspa/ | |
| t.j.h.vlugt@tudelft.nl http://homepage.tudelft.nl/v9k6y | |
| don-ellis@northwestern.edu http://dvworld.northwestern.edu/ | |
| snurr@northwestern.edu http://zeolites.cqe.northwestern.edu/ | |
| Permission is hereby granted, free of charge, to any person | |
| obtaining a copy of this software and associated documentation | |
| files (the "Software"), to deal in the Software without | |
| restriction, including without limitation the rights to use, | |
| copy, modify, merge, publish, distribute, sublicense, and/or sell | |
| copies of the Software, and to permit persons to whom the | |
| Software is furnished to do so, subject to the following | |
| conditions: | |
| The above copyright notice and this permission notice shall be | |
| included in all copies or substantial portions of the Software. | |
| THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, | |
| EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES | |
| OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND | |
| NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT | |
| HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, | |
| WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING | |
| FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR | |
| OTHER DEALINGS IN THE SOFTWARE. | |
| **************************************************************************************************************/ | |
| void CalculateFrameworkBondBornTerm(void); | |
| void CalculateFrameworkUreyBradleyBornTerm(void); | |
| void CalculateFrameworkBendBornTerm(void); | |
| void CalculateFrameworkTorsionBornTerm(void); | |
| void CalculateFrameworkImproperTorsionBornTerm(void); | |
| int CalculateFrameworkIntraVDWBornTerm(void); | |
| int CalculateFrameworkIntraReplicaVDWBornTerm(void); | |
| int CalculateFrameworkIntraChargeChargeBornTerm(void); | |
| int CalculateFrameworkIntraReplicaChargeChargeBornTerm(void); | |
| void FrameworkAdsorbateVDWBornTerm(void); | |
| void FrameworkAdsorbateChargeChargeBornTerm(void); | |
| void FrameworkCationVDWBornTerm(void); | |
| void FrameworkCationChargeChargeBornTerm(void); | |
| void FrameworkAdsorbateReplicaVDWBornTerm(void); | |
| void FrameworkAdsorbateReplicaChargeChargeBornTerm(void); | |
| void FrameworkCationReplicaVDWBornTerm(void); | |
| void FrameworkCationReplicaChargeChargeBornTerm(void); | |