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subroutine | write_netcdf::error_check (ierr) |
| Checks error status at each point of NetCDF file build. More...
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subroutine | write_netcdf::write_qho_equilibration (position_array, energy_array, filename, ierr, QHO, accept_rate, alpha) |
| Output QHO system traces for equilibration. More...
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subroutine | write_netcdf::write_h2plus_equilibration (position_array, energy_array, filename, ierr, H2plus, accept_rate, c, bond_length) |
| Output H2_plus system trace for equilibration. More...
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subroutine | write_netcdf::write_h2_equilibration (position_array, energy_array, filename, ierr, H2, accept_rate, beta, bond_length) |
| Output H2 system trace for equilibration. More...
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subroutine | write_netcdf::write_qho_main (alpha_array, energy_array, uncertainty_array, filename, ierr, QHO, accept_rate) |
| Output results of QHO MCMC run. More...
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subroutine | write_netcdf::write_h2plus_main (param_array, bondlength_array, energy_array, uncertainty_array, filename, ierr, H2plus, accept_rate) |
| Output results of H2plus MCMC run. More...
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subroutine | write_netcdf::write_h2_main (param_a_array, param_beta_array, bondlength_array, energy_array, uncertainty_array, filename, ierr, H2, accept_rate) |
| Output results of H2 MCMC run. More...
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subroutine | write_netcdf::chain_output_1d (position_array, energy_array, filename, ierr) |
| Output 1d position and energy arrays of MCMC run to NetCDF file [UNUSED]. More...
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subroutine | write_netcdf::chain_output_3d (position_array_3d, energy_array, filename, ierr) |
| Output 3d position and 1d energy arrays of MCMC run to NetCDF file [UNUSED]. More...
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subroutine | write_netcdf::append_to_array (array, filename, ierr) |
| Appends array to a 1d NetCDF array in file [UNUSED]. More...
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