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About the Developer News & Discussion category
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0
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2183
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January 28, 2016
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Performance and Integration Scheme of Range-Separated Hybrids
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0
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104
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June 20, 2024
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How does Psi4 build portable packages?
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2
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72
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June 11, 2024
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Which B97 is which?
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2
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379
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May 28, 2024
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How to pass an array in Psi4 plugin development?
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1
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257
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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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338
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March 20, 2023
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Self-interaction correction
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3
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800
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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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950
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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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1204
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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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994
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August 27, 2018
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Development proposal for OEProp
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2
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1058
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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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1070
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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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1223
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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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1099
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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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1590
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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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1756
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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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3708
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November 2, 2016
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Binary testers needed
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17
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3484
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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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2388
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May 17, 2016
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Mac binary testing
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3
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2100
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April 26, 2016
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Python interface to plugins
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4
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2513
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April 25, 2016
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NumPy Psi4 dependency
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1
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2249
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April 18, 2016
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Units and printing
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8
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3884
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April 11, 2016
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Python 2.6 support
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4
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2077
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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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3423
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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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2891
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February 27, 2016
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Release Candidate 1
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6
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2063
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February 26, 2016
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Wavefunction passing update
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1
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2207
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February 16, 2016
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Psi4 GitHub changes
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0
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2175
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February 12, 2016
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Managed methods, feedback required
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5
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2407
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February 10, 2016
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