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About the Developer News & Discussion category
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0
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2113
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January 28, 2016
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How to pass an array in Psi4 plugin development?
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1
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202
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March 27, 2023
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Calculated of energy decomposition with Not converge SCF
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4
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280
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March 20, 2023
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Self-interaction correction
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3
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742
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March 22, 2019
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Algorithm behind GaussView 5.0 Clean function?
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2
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892
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January 20, 2019
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Optional XML Output from psi4 invocation
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7
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1145
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December 3, 2018
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How to tell plugin which blas library is used?
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1
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945
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August 27, 2018
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Development proposal for OEProp
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2
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1027
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August 2, 2018
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Manual Update: DFOCC requires SCF_TYPE = DISK_DF
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3
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1017
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May 14, 2018
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Warning: cannot automatically bond atom with strange atomic number
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4
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1106
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April 10, 2018
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Small bug in Matrix::gemm
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2
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1043
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March 9, 2018
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Problem with orbital-optimized methods (omp2, olccd) and frequency calculations
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2
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1540
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July 23, 2017
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Module to Calculate UV/VIS Spectra
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1
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1687
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May 9, 2017
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Psi Workshop and Developer Plans for Fall 2016
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6
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3664
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November 2, 2016
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Binary testers needed
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17
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3423
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July 1, 2016
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MintsHelper did not match c++ signature
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3
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2332
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May 17, 2016
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Mac binary testing
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3
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2059
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April 26, 2016
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Python interface to plugins
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4
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2446
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April 25, 2016
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NumPy Psi4 dependency
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1
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2196
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April 18, 2016
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Units and printing
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8
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3684
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April 11, 2016
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Python 2.6 support
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4
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2031
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March 15, 2016
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Naming considerations for cepa(0)
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8
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3322
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February 29, 2016
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Ideas to simplify wave function passing
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11
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2833
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February 27, 2016
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Release Candidate 1
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6
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2025
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February 26, 2016
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Wavefunction passing update
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1
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2168
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February 16, 2016
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Psi4 GitHub changes
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0
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2146
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February 12, 2016
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Managed methods, feedback required
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5
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2361
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February 10, 2016
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