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4 Replies
3382 Views |
March 22, 2018, 02:47:47 AMby Junran Lu |
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turning on polarizability
Started by lifesmiel |
1 Replies
2155 Views |
March 28, 2018, 09:18:16 PM by David Dubbeldam |
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Minimization
Started by Junran Lu |
2 Replies
2314 Views |
April 10, 2018, 04:35:53 AM by Junran Lu |
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MoleculeDefinition--critical constants
Started by Junran Lu |
3 Replies
2338 Views |
April 13, 2018, 09:14:46 AM by David Dubbeldam |
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Question on Pseudo_atom.def
Started by Junran Lu |
1 Replies
2605 Views |
April 25, 2018, 05:59:16 PM by David Dubbeldam |
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1 Replies
2436 Views |
April 25, 2018, 06:00:05 PM by David Dubbeldam |
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BarrierCrossing examples?
Started by haoyuan |
1 Replies
2077 Views |
May 08, 2018, 01:38:05 PM by David Dubbeldam |
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The flexibility of IRMOF-1
Started by zjuhjx |
3 Replies
2839 Views |
May 14, 2018, 08:18:21 AM by zjuhjx |
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3 Replies
2828 Views |
June 04, 2018, 01:39:19 PM by Pezhman Zarabadi-Poor |
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Error in connectivity
Started by shabnam naderlou |
7 Replies
5313 Views |
September 29, 2018, 06:50:46 AM by David Dubbeldam |
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chemical potential in input file
Started by ae213 |
2 Replies
2538 Views |
October 01, 2018, 08:06:52 PM by ae213 |
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Error while using "Grid" option
Started by Vardhan |
3 Replies
2732 Views |
November 12, 2018, 11:42:57 AM by David Dubbeldam |
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PartionFunction in Reactive Ensemble
Started by Junran Lu |
2 Replies
2062 Views |
November 13, 2018, 03:59:12 AM by Junran Lu |
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Configuration Files
Started by arsgk |
1 Replies
1913 Views |
November 26, 2018, 06:54:08 PM by David Dubbeldam |
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Single Point Energy Calculation?
Started by sen |
1 Replies
1826 Views |
January 17, 2019, 04:58:36 PM by David Dubbeldam |
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ChargeFromChargeEquilibration
Started by anne |
4 Replies
3554 Views |
January 28, 2019, 07:57:40 PM by David Dubbeldam |
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7 Replies
3974 Views |
April 23, 2019, 02:02:41 PM by petersbk |
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Understanding the Framework option
Started by shivanand |
1 Replies
1787 Views |
July 06, 2019, 04:05:43 PM by David Dubbeldam |
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1 Replies
1518 Views |
July 06, 2019, 04:09:22 PM by David Dubbeldam |
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CIF files help
Started by petersbk |
3 Replies
3613 Views |
July 06, 2019, 04:24:19 PM by David Dubbeldam |
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