ywangd / mspms2

Automatically exported from code.google.com/p/mspms2
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Move the input data for NVT to a separate section #1

Closed GoogleCodeExporter closed 9 years ago

GoogleCodeExporter commented 9 years ago
Move the input data for NVT simulation to a separate section to make it
consistent with other non-NVE run input data.

Original issue reported on code.google.com by ywa...@gmail.com on 28 Nov 2007 at 5:17

GoogleCodeExporter commented 9 years ago
The changes have been made.
init_nvt() has been added in nvtnh.c
The data initialization and reading has been put in init_nvt() from init_vars() 
and
readins()
The changes need to be tested for
1. Compile and build (we did not add extern reference for init_nvt, see if the
program can be compiled w/o it)
2. Execution.

Original comment by ywa...@gmail.com on 28 Nov 2007 at 10:30

GoogleCodeExporter commented 9 years ago
Test completed for both compilation and execution.

Original comment by ywa...@gmail.com on 29 Nov 2007 at 2:54

GoogleCodeExporter commented 9 years ago
The Wiki page for in.mspms is updated.

Original comment by ywa...@gmail.com on 29 Nov 2007 at 9:00