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CHANGELOG
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CHANGELOG
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CHANGELOG : GPSE
dev
* support for large file sizes (> 2GB) with MPI-I/O
2021/08/02 v0.6.6
+ include dNx, dNy, and dNz settings in standard output
2020/02/16 v0.6.5
+ reorganized main time propagation/simulation loop to allow wave
function data to be reprocessed; i.e., allows users to read in
wave functions from a previous simulation and recompute
expectation values, probability currents, average velocities, etc.
2020/01/04 v0.6.4
+ implemented and verified computation of average velocities across
same boundaries where the probability currents are computed in
pmca module
2020/01/03 v0.6.3
+ implemented computation of probability currents along z-axis in
x-y plane for each Cartesian quadrant to provide measurement of
out-of-plane dynamics
2019/12/01 v0.6.2
+ implemented and verified computation of several probability
currents about the z-axis of the system; currently, four currents
are computed, where each represent the probabiity current passing
from one Cartesian (volume) quadrant in the x-y plane to the next
2019/07/08 v0.6.1
+ implemented grid_linear_search function and grid_nearest_point
subroutine in grid module to support new probability/mass current
analysis module (pmca); the grid_nearest_point subroutine will be
utilized by the pmca module to help determine integration limits
over which the probability/mass currents and average velocites of
the wave function will be computed on different surfaces within
the three-dimensional, regular grid
+ continued reformatting source code into a 72 character wide,
pep8-like format
2019/05/19 v0.6.0
+ implemented VTK reader function (io_read_vtk) to allow simple
parallel I/O read of input wave function
+ added logical flag (chkptOn) to control whether or not checkpoint
wave function is written out at the end of each simulation.
+ started reformatting source code to be more compactly written;
intended to follow 72 character wide, pep8-like format
2017/08/16 v0.5.9
+ initial wave fuctions computed with psi_init when psiInput == 0
are now also normalized numerically; this provides proper
normalization to initial wave functions where analytic
normalizations constants are not known; e.g. see psiInt == 3 for
the approximate ground state wave function of a 3D simple harmonic
oscillator ring potential
- commented out MPI-I/O-based wave function checkpoint that occurs
at the end of a completed simulation; MPI-I/O files are currently
limited to a maximum size of approximately 2GB for some unknow
reason; further investigation required
+ reverted to serialized binary checkpoint from v0.5.6
2017/01/22 v0.5.8
+ set checkpoint wave function file to 'psi-501.bin'
2017/01/22 v0.5.7
+ replaced serial version of new wave function checkpoint with one
that uses MPI-I/O
2017/01/22 v0.5.6
+ implemented checkpoint; last wave function is now written out to a
binary file in order to provide a checkpoint from where a new
simulation may be started to continue where the last one left off
2017/01/03 v0.5.5
+ implemented MPI-I/O (psiOutput) option with explicit-offsets to
write each wave function out to a single binary file
2016/10/17 v0.5.4
+ implemented first version of a simple parallel I/O (psiOutput)
option, where a complete wave function is simultaneously written
out to many small, individual files only containing the portion of
the wave function overseen by an MPI process
2016/01/19 v0.5.3
+ GPSE from M. C. Kandes, "Modeling the Effects of Inertial Forces
on Bose-Einstein Condensates in Rotating Frames of Reference",
Ph.D. dissertation, Claremont Graduate University and San Diego
State University (2015).