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import Foundation
import GIFModule
import HDL
import MM4
import MolecularRenderer
import QuaternionModule
import xTB
// MARK: - User-Facing Options
@philipturner
philipturner / FIRE.swift
Last active November 11, 2025 23:41
GitHub Gist for the stannatrane tripod test
//
// FIRE.swift
// MolecularRendererApp
//
// Created by Philip Turner on 5/31/24.
//
import HDL
import Numerics
@philipturner
philipturner / FIRE.swift
Last active November 11, 2025 23:41
GitHub Gist for the MM4 energy minimization test
//
// FIRE.swift
// MolecularRendererApp
//
// Created by Philip Turner on 5/31/24.
//
import HDL
import Numerics
import HDL
import MolecularRenderer
import QuaternionModule
// MARK: - Compile Structure
func passivate(topology: inout Topology) {
func createHydrogen(
atomID: UInt32,
orbital: SIMD3<Float>
@philipturner
philipturner / Application+UpdateBVH.swift
Created October 16, 2025 20:20
Rotating beam benchmark 2
// For profiling with D3D12 timestamp queries.
#if os(Windows)
import SwiftCOM
import WinSDK
#endif
// Temporary import for profiling CPU-side bottleneck.
import Foundation
public struct PerformanceMeter {
@philipturner
philipturner / Application+UpdateBVH.swift
Created October 16, 2025 12:47
Rotating beam benchmark
// For profiling with D3D12 timestamp queries.
#if os(Windows)
import SwiftCOM
import WinSDK
#endif
// TODO: Before finishing the acceleration structure PR, remove the public
// modifier for the functions in this extension.
extension Application {
public func checkCrashBuffer(frameID: Int) {
@philipturner
philipturner / Application+UpdateBVH.swift
Last active October 16, 2025 12:48
Inspect rebuild
extension Application {
// TODO: Before finishing the acceleration structure PR, remove the public
// modifier for this.
public func updateBVH(inFlightFrameID: Int) {
let transaction = atoms.registerChanges()
device.commandQueue.withCommandList { commandList in
// Bind the descriptor heap.
#if os(Windows)
commandList.setDescriptorHeap(descriptorHeap)
@philipturner
philipturner / Application+UpdateBVH.swift
Last active October 16, 2025 12:48
Inspect remove and add
extension Application {
// Will eventually remove the public modifier and automatically invoke this
// inside 'application.render()'.
public func updateBVH(inFlightFrameID: Int) {
updateBVH1(inFlightFrameID: inFlightFrameID)
updateBVH2(inFlightFrameID: inFlightFrameID)
}
public func updateBVH1(inFlightFrameID: Int) {
let transaction = atoms.registerChanges()
import HDL
import MolecularRenderer
@MainActor
func createApplication() -> Application {
// Set up the device.
var deviceDesc = DeviceDescriptor()
deviceDesc.deviceID = Device.fastestDeviceID
let device = Device(descriptor: deviceDesc)
@philipturner
philipturner / FIRE.swift
Last active November 11, 2025 23:42
GitHub Gist for the propargyl alcohol tripod test
//
// FIRE.swift
// MolecularRendererApp
//
// Created by Philip Turner on 5/31/24.
//
import HDL
import Numerics