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Strategies for Varying Multiple Parameters (variables) with Limited Observables
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1
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44
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March 13, 2025
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Charge Neutrality Error in Potential Calculation
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1
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46
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March 13, 2025
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How to use alamode correctly
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3
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102
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March 12, 2025
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Gulp compilation in parallel
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3
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87
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March 5, 2025
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Fixing Ionic Positions in Mott-Littleton Calculations
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8
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111
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March 4, 2025
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<< Compiling error in phonond.F90 >>
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5
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122
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February 26, 2025
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Specifying bonds only for asymmetric unit cell parts
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4
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80
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February 24, 2025
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Compiling GULP using cray compilers on Archer2
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1
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60
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February 23, 2025
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Calibrating the GULP results against results done in similar software?
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0
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48
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February 17, 2025
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Best force field for organic molecular crystals?
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2
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123
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February 10, 2025
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User-specified connectivity for a spring network application
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2
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45
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February 2, 2025
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Bidirectional bond type specification required?
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3
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67
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February 1, 2025
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LJ parameters fitting failed
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1
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69
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February 1, 2025
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Harmonic potential with negative parameters
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2
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47
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January 29, 2025
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Bonding in MOFs across periodic boundary
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5
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131
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January 29, 2025
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Structure output to cif incorrect
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3
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76
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January 29, 2025
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Decoding the content of Dump file
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1
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51
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January 28, 2025
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Can I use space group description and UFF?
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8
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129
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January 28, 2025
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ERROR : charge solution failed in setreaxffQiter
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1
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70
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January 25, 2025
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GULP 6.3 install error
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2
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97
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January 23, 2025
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Correctly UFF and Dreading force filed type assigned reference structures?
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2
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121
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January 20, 2025
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Building MPI version of GULP
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10
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158
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January 16, 2025
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Installing GULP on windows 10
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15
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2169
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January 13, 2025
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Genetic Fitting
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2
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75
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January 13, 2025
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Treatment of charges in regions
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4
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73
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January 13, 2025
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Force field fitting for MOFs (ERROR : Incorrect potential coefficient input)
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3
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114
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January 9, 2025
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ERROR : no valid trial for current configuration
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4
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60
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January 6, 2025
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Gulp for liquid system?
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3
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75
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January 6, 2025
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Monte carlo swapping in gulp
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0
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29
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January 3, 2025
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Potencial fitting
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1
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142
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December 16, 2024
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