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list of configurational moves in .def file
Started by ae213 |
2 Replies
1347 Views |
June 23, 2022, 06:17:44 PMby ae213 |
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2 Replies
1288 Views |
October 05, 2021, 07:08:43 PM by AHF |
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2 Replies
1433 Views |
June 22, 2021, 06:24:08 PM by AHF |
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Enthalpy of adsorption for binary mixture
Started by AHF |
1 Replies
1186 Views |
March 14, 2022, 07:13:39 PM by David Dubbeldam |
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PSD of Zeolitic systems with mobile cations
Started by AHF |
0 Replies
1106 Views |
November 26, 2021, 07:06:10 PM by AHF |
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RASPA2 Run File
Started by al2 |
1 Replies
1233 Views |
August 31, 2021, 08:31:21 PM by David Dubbeldam |
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RASPA Simulations Directory not Found
Started by amogh |
7 Replies
1849 Views |
September 28, 2021, 07:31:24 PM by amogh |
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Running RASPA2 with Python Scripts
Started by Busra |
1 Replies
1576 Views |
August 20, 2020, 12:09:36 PM by David Dubbeldam |
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Error at run time
Started by chenglong |
1 Replies
1166 Views |
May 21, 2021, 06:47:00 PM by David Dubbeldam |
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1 Replies
1655 Views |
March 01, 2020, 09:42:36 AM by David Dubbeldam |
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ForceField Parameter for Carbon
Started by cud |
2 Replies
1082 Views |
March 06, 2021, 11:01:15 PM by cud |
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Mg and K cations .def file
Started by ergrhn |
1 Replies
1594 Views |
May 26, 2020, 05:57:06 PM by David Dubbeldam |
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The Tail-Correction in RASPA
Started by fjoodaki |
2 Replies
1032 Views |
March 02, 2021, 12:55:11 AM by fjoodaki |
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Defination of absorbates in RASPA
Started by Haolong |
1 Replies
1537 Views |
September 25, 2020, 11:49:55 AM by David Dubbeldam |
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Problems installing on Ubuntu
Started by heitorabreu |
3 Replies
1621 Views |
July 13, 2021, 03:56:57 AM by etbandung |
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Surface area of MgMOF-74
Started by imaeda |
1 Replies
1490 Views |
August 20, 2020, 12:04:39 PM by dubbelda |
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How to make snapshots
Started by imaeda |
1 Replies
1644 Views |
October 20, 2020, 06:54:17 PM by David Dubbeldam |
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3 Replies
1283 Views |
November 03, 2021, 08:43:14 AM by David Dubbeldam |
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Energy Drift - Cations
Started by isaaraujo |
0 Replies
1026 Views |
January 08, 2022, 09:52:04 AM by isaaraujo |
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NPT-Flexible framework
Started by isaaraujo |
2 Replies
1288 Views |
December 01, 2021, 04:29:31 PM by isaaraujo |
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