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4 Replies
1357 Views |
March 22, 2018, 02:47:47 AMby Junran Lu |
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The usage of block_file
Started by Junran Lu |
4 Replies
1429 Views |
March 24, 2018, 04:16:52 AM by Junran Lu |
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turning on polarizability
Started by lifesmiel |
1 Replies
809 Views |
March 28, 2018, 08:18:16 PM by David Dubbeldam |
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Minimization
Started by Junran Lu |
2 Replies
803 Views |
April 10, 2018, 03:35:53 AM by Junran Lu |
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MoleculeDefinition--critical constants
Started by Junran Lu |
3 Replies
942 Views |
April 13, 2018, 08:14:46 AM by David Dubbeldam |
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Question on Pseudo_atom.def
Started by Junran Lu |
1 Replies
1176 Views |
April 25, 2018, 04:59:16 PM by David Dubbeldam |
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1 Replies
1045 Views |
April 25, 2018, 05:00:05 PM by David Dubbeldam |
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BarrierCrossing examples?
Started by haoyuan |
1 Replies
806 Views |
May 08, 2018, 12:38:05 PM by David Dubbeldam |
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The flexibility of IRMOF-1
Started by zjuhjx |
3 Replies
1025 Views |
May 14, 2018, 07:18:21 AM by zjuhjx |
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3 Replies
1153 Views |
June 04, 2018, 12:39:19 PM by Pezhman Zarabadi-Poor |
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Error in connectivity
Started by shabnam naderlou |
7 Replies
2200 Views |
September 29, 2018, 05:50:46 AM by David Dubbeldam |
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chemical potential in input file
Started by aemelianova |
2 Replies
994 Views |
October 01, 2018, 07:06:52 PM by aemelianova |
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Error while using "Grid" option
Started by Vardhan |
3 Replies
1005 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
763 Views |
November 13, 2018, 03:59:12 AM by Junran Lu |
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Configuration Files
Started by arsgk |
1 Replies
752 Views |
November 26, 2018, 06:54:08 PM by David Dubbeldam |
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Single Point Energy Calculation?
Started by sen |
1 Replies
666 Views |
January 17, 2019, 04:58:36 PM by David Dubbeldam |
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ChargeFromChargeEquilibration
Started by anne |
4 Replies
1616 Views |
January 28, 2019, 07:57:40 PM by David Dubbeldam |
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7 Replies
1247 Views |
April 23, 2019, 01:02:41 PM by petersbk |
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Understanding the Framework option
Started by shivanand |
1 Replies
548 Views |
July 06, 2019, 03:05:43 PM by David Dubbeldam |
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1 Replies
494 Views |
July 06, 2019, 03:09:22 PM by David Dubbeldam |
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