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Understanding the Framework option
Started by shivanand |
1 Replies
834 Views |
July 06, 2019, 04:05:43 PMby David Dubbeldam |
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7 Replies
1763 Views |
April 23, 2019, 02:02:41 PM by petersbk |
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ChargeFromChargeEquilibration
Started by anne |
4 Replies
2129 Views |
January 28, 2019, 07:57:40 PM by David Dubbeldam |
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Single Point Energy Calculation?
Started by sen |
1 Replies
892 Views |
January 17, 2019, 04:58:36 PM by David Dubbeldam |
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Configuration Files
Started by arsgk |
1 Replies
982 Views |
November 26, 2018, 06:54:08 PM by David Dubbeldam |
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PartionFunction in Reactive Ensemble
Started by Junran Lu |
2 Replies
989 Views |
November 13, 2018, 03:59:12 AM by Junran Lu |
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Error while using "Grid" option
Started by Vardhan |
3 Replies
1287 Views |
November 12, 2018, 11:42:57 AM by David Dubbeldam |
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chemical potential in input file
Started by ae213 |
2 Replies
1309 Views |
October 01, 2018, 08:06:52 PM by ae213 |
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Error in connectivity
Started by shabnam naderlou |
7 Replies
2913 Views |
September 29, 2018, 06:50:46 AM by David Dubbeldam |
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3 Replies
1564 Views |
June 04, 2018, 01:39:19 PM by Pezhman Zarabadi-Poor |
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The flexibility of IRMOF-1
Started by zjuhjx |
3 Replies
1330 Views |
May 14, 2018, 08:18:21 AM by zjuhjx |
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BarrierCrossing examples?
Started by haoyuan |
1 Replies
1057 Views |
May 08, 2018, 01:38:05 PM by David Dubbeldam |
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1 Replies
1326 Views |
April 25, 2018, 06:00:05 PM by David Dubbeldam |
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Question on Pseudo_atom.def
Started by Junran Lu |
1 Replies
1484 Views |
April 25, 2018, 05:59:16 PM by David Dubbeldam |
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MoleculeDefinition--critical constants
Started by Junran Lu |
3 Replies
1208 Views |
April 13, 2018, 09:14:46 AM by David Dubbeldam |
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Minimization
Started by Junran Lu |
2 Replies
1108 Views |
April 10, 2018, 04:35:53 AM by Junran Lu |
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turning on polarizability
Started by lifesmiel |
1 Replies
1122 Views |
March 28, 2018, 09:18:16 PM by David Dubbeldam |
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The usage of block_file
Started by Junran Lu |
4 Replies
1905 Views |
March 24, 2018, 04:16:52 AM by Junran Lu |
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4 Replies
1808 Views |
March 22, 2018, 02:47:47 AM by Junran Lu |
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