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[issue.tar.gz](https://github.com/openmm/openmm/files/11054117/issue.tar.gz)
The attached tarball contains the minimized pdb file and the full MD equilibration and production script. Right now it i…
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Testing in spark has revealed a variation between values in nvtabular and spark.
https://gitlab-master.nvidia.com/dl/JoC/wide_deep_tf2/-/blob/pbigaj/nvt-pandas-notebooks/notebooks/datasets_compari…
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**Describe the bug**
Attempting to create an NVT Dataset using a cudf DataFrame containing a struct dtype fails.
**Steps/Code to reproduce bug**
Create a test file:
```shell
echo '[{"properti…
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Original content:
感谢作者的卓越贡献。我在此有两个小问题想请教您。
首先,rng无疑是可以考虑周期性条件的,这从选项的设置上就可以看出,但我还是想确认一下,对于npt模拟这种晶胞可变的动力学过程,rng会更新每步的晶胞信息吗?
例如,在dump格式文件中,包含每一帧的晶胞参数,程序是否会逐帧读取,还是只读取第一帧的参数。
当输入文件为XYZ这种不包含晶胞参数的…
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Hi,
I'm using the latest community edition of greenbone and have discovered that my FIPS compliant hosts are being reported as having vulnerabilities due to the scanner not interpreting the fips in…
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New variables code that was in L1a
```r
# Compute new (derived) variables
message("\tComputing derived variables")
for(i in seq_len(nrow(nvt))) {
new_rn %
se…
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The current default behavior if for GOMC to terminate with an error if the user specifies two simulation boxes as input. Perhaps it would be better to have GOMC print a warning that it was ignoring t…
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what should i assign to "get_app/"
help in out of this
https://github.com/xqcyberscore/nvt/blob/914cd8ea4e5257f1417c3a3af094871e395247b7/host_details.inc
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Hello
We scanned one of our Windows Server 2016 with NCPA version 2.4.0 installed and got this report:
NVT: SSL/TLS: Renegotiation DoS Vulnerability (CVE-2011-1473, CVE-2011-5094)
Summary
The re…
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In gas phase there are no NVT and NPT ensembles, so the logger info ends up being misleading for users.